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

Systemtic Name: 3,4,5-triethoxy-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4S/c1-4-28-17-12-15(13-18(29-5-2)20(17)30-6-3)21(27)23-14-19-24-25-22(31)26(19)16-10-8-7-9-11-16/h7-13H,4-6,14H2,1-3H3,(H,23,27)(H,25,31)