Name: Name:2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
Brand: Angene
SKU: AG01EV38
Rating: 90 (10 reviews)

2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile

CAS No.:

332114-65-5

Catalog Number:

AG01EV38

Molecular Formula:

C27H22N2O2S

Molecular Weight:

438.5408

Catalog Number:

AG01EV38

Chemical Name:

2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile

CAS Number:

332114-65-5

Molecular Formula:

C27H22N2O2S

Molecular Weight:

438.5408

MDL Number:

MFCD01817868

IUPAC Name:

2-benzylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

InChI:

InChI=1S/C27H22N2O2S/c1-30-22-12-8-20(9-13-22)24-16-26(21-10-14-23(31-2)15-11-21)29-27(25(24)17-28)32-18-19-6-4-3-5-7-19/h3-16H,18H2,1-2H3

InChI Key:

KAFAGOXLYIAZLR-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nc(SCc2ccccc2)c(c(c1)c1ccc(cc1)OC)C#N

Complexity:

600

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

438.14g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

438.545g/mol

Monoisotopic Mass:

438.14g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.1