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

Systemtic Name: 4-tert-butyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-tert-butyl-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-tert-butyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide IUPAC Name: 4-tert-butyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-tert-butyl-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzamide Formula: C20H22N4OS MolecularWeight: 366.47988

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-20(2,3)15-11-9-14(10-12-15)18(25)21-13-17-22-23-19(26)24(17)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,25)(H,23,26)