2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(diphenylmethyl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-2-3-14-25-20(27)23-24-21(25)28-15-18(26)22-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3,(H,22,26)(H,23,27)