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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-benzyl-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-3-4-10-20-15(22)17-18-16(20)23-12-14(21)19(2)11-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,17,22)