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

Systemtic Name: 3,4,5-triethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-5-29-18-12-16(13-19(30-6-2)21(18)31-7-3)22(28)24-14-20-25-26-23(32)27(20)17-10-8-9-15(4)11-17/h8-13H,5-7,14H2,1-4H3,(H,24,28)(H,26,32)