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

Systemtic Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c1-2-3-11-27-17-9-7-14(8-10-17)19(26)22-13-18-23-24-20(28)25(18)16-6-4-5-15(21)12-16/h4-10,12H,2-3,11,13H2,1H3,(H,22,26)(H,24,28)