Name: Name:N-[3-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide
Brand: Angene
SKU: AG019LGN
Rating: 90 (10 reviews)

N-[3-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide

CAS No.:

137582-02-6

Catalog Number:

AG019LGN

Molecular Formula:

C11H12N4OS

Molecular Weight:

248.3042

Catalog Number:

AG019LGN

Chemical Name:

N-[3-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)phenyl]acetamide

CAS Number:

137582-02-6

Molecular Formula:

C11H12N4OS

Molecular Weight:

248.3042

MDL Number:

MFCD09971418

IUPAC Name:

N-[3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetamide

InChI:

InChI=1S/C11H12N4OS/c1-7-13-14-11(17)15(7)10-5-3-4-9(6-10)12-8(2)16/h3-6H,1-2H3,(H,12,16)(H,14,17)

InChI Key:

ATRHYXVKJVZTTH-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1cccc(c1)n1c(C)nnc1S

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.304g/mol

Monoisotopic Mass:

248.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7