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

Systemtic Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4O2S/c1-2-3-10-28-15-7-4-13(5-8-15)19(27)23-12-18-24-25-20(29)26(18)14-6-9-16(21)17(22)11-14/h4-9,11H,2-3,10,12H2,1H3,(H,23,27)(H,25,29)