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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N(C)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N(C)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-21(14-6-4-3-5-7-14)16(24)12-27-18-20-19-17(22(18)2)13-8-10-15(11-9-13)23(25)26/h3-11H,12H2,1-2H3