N-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H16N4OS2/c1-10-5-7-12(8-6-10)17-15(21)11(2)23-16-18-14(19-20-16)13-4-3-9-22-13/h3-9,11H,1-2H3,(H,17,21)(H,18,19,20)