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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NCC2=CC=CC=C2C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NCC2=CC=CC=C2C

InChI

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