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

Systemtic Name: N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c23-16(10-12-4-2-1-3-5-12)18-11-15-19-20-17(26)21(15)13-6-8-14(9-7-13)22(24)25/h1-9H,10-11H2,(H,18,23)(H,20,26)