N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS2/c1-16-9-11-17(12-10-16)21(19-8-5-13-28-19)24-20(27)14-29-22-23-15-26(25-22)18-6-3-2-4-7-18/h2-13,15,21H,14H2,1H3,(H,24,27)