N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-26-14-5-3-2-4-13(14)21-15(19-20-17(21)27)10-18-16(23)11-6-8-12(9-7-11)22(24)25/h2-9H,10H2,1H3,(H,18,23)(H,20,27)