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

Systemtic Name: N-(3-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(m-tolyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(m-tolyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H16N4OS2/c1-11-4-2-5-12(8-11)17-15(21)10-23-16-18-14(19-20-16)9-13-6-3-7-22-13/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19,20)