4-tert-butyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide

Systemtic Name: 4-tert-butyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Openeye Name: 4-tert-butyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide CAS Name: 4-tert-butyl-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]benzamide IUPAC Name: 4-tert-butyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Traditional Name: 4-tert-butyl-N-(1,2,4-triazol-4-ylthiocarbamoyl)benzamide Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2

InChI

InChI=1S/C14H17N5OS/c1-14(2,3)11-6-4-10(5-7-11)12(20)17-13(21)18-19-8-15-16-9-19/h4-9H,1-3H3,(H2,17,18,20,21)