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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4-chlorobenzyl)acetamide Formula: C15H19ClN4O2S MolecularWeight: 354.85496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN4O2S/c1-2-3-8-20-14(22)18-19-15(20)23-10-13(21)17-9-11-4-6-12(16)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H,18,22)