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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O3S/c1-4-5-8-21-15(23)19-20-16(21)25-10(2)14(22)18-11-6-7-13(24-3)12(17)9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,22)(H,19,23)