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

Systemtic Name: 3,4,5-trimethoxy-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-28-14-8-11(9-15(29-2)17(14)30-3)18(25)20-10-16-21-22-19(31)23(16)12-4-6-13(7-5-12)24(26)27/h4-9H,10H2,1-3H3,(H,20,25)(H,22,31)