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

Systemtic Name: 4-tert-butyl-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS/c1-20(2,3)14-9-7-13(8-10-14)18(26)22-12-17-23-24-19(27)25(17)16-6-4-5-15(21)11-16/h4-11H,12H2,1-3H3,(H,22,26)(H,24,27)