2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C16H21ClN4O2S/c1-4-5-9-21-15(23)19-20-16(21)24-11(3)14(22)18-13-8-6-7-12(17)10(13)2/h6-8,11H,4-5,9H2,1-3H3,(H,18,22)(H,19,23)