N-methyl-2-[[5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-methyl-2-[[5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-methyl-2-[[5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-benzyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-19-16(24)12-27-18-21-20-17(14-7-9-15(10-8-14)23(25)26)22(18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,24)