2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloranyl-4-methyl-phenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloranyl-4-methyl-phenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methyl-phenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methylphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methyl-phenyl)butyramide Formula: C21H24ClN5OS MolecularWeight: 429.96616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H24ClN5OS/c1-3-18(19(28)24-16-10-9-14(2)17(22)13-16)27-20(23)25-26-21(27)29-12-11-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3,(H2,23,25)(H,24,28)