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

Systemtic Name: (2S)-2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C21H19N5OS2/c1-14-9-11-16(12-10-14)23-20(27)18(15-6-3-2-4-7-15)29-21-25-24-19(26(21)22)17-8-5-13-28-17/h2-13,18H,22H2,1H3,(H,23,27)/t18-/m0/s1