4-methyl-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[oxo-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-[[3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]amino]-3-thenoic acid Formula: C16H14N4O3S2 MolecularWeight: 374.43736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3

Isomeric SMILES

CC1=CSC(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3

InChI

InChI=1S/C16H14N4O3S2/c1-9-6-24-14(12(9)15(22)23)19-13(21)11-4-2-3-10(5-11)7-25-16-17-8-18-20-16/h2-6,8H,7H2,1H3,(H,19,21)(H,22,23)(H,17,18,20)