N-(3-chloranyl-4-methyl-phenyl)-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)propionamide Formula: C13H15ClN4OS MolecularWeight: 310.8024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=NNC(=S)N2C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=NNC(=S)N2C)Cl

InChI

InChI=1S/C13H15ClN4OS/c1-8-3-4-9(7-10(8)14)15-12(19)6-5-11-16-17-13(20)18(11)2/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,17,20)