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

Systemtic Name: 4-butoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC(=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC(=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-3-4-12-27-18-10-8-16(9-11-18)20(26)22-14-19-23-24-21(28)25(19)17-7-5-6-15(2)13-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,26)(H,24,28)