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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: (2S)-2-phenyl-N-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: (2S)-2-phenyl-N-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H18N4OS2/c1-14-9-11-16(12-10-14)22-20(26)18(15-6-3-2-4-7-15)28-21-23-19(24-25-21)17-8-5-13-27-17/h2-13,18H,1H3,(H,22,26)(H,23,24,25)/t18-/m0/s1