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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C16H22ClN5OS MolecularWeight: 367.89678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C16H22ClN5OS/c1-4-5-9-14-20-21-16(22(14)18)24-11(3)15(23)19-13-8-6-7-12(17)10(13)2/h6-8,11H,4-5,9,18H2,1-3H3,(H,19,23)