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

Systemtic Name: 3,4,5-trimethoxy-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S/c1-25-14-9-12(10-15(26-2)17(14)27-3)18(24)20-11-16-21-22-19(28)23(16)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,20,24)(H,22,28)