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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloranyl-4-methyl-phenyl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methyl-phenyl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methylphenyl)butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methylphenyl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methyl-phenyl)butyramide Formula: C15H20ClN5OS MolecularWeight: 353.8702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)N2C(=NN=C2SCC)N

InChI

InChI=1S/C15H20ClN5OS/c1-4-12(21-14(17)19-20-15(21)23-5-2)13(22)18-10-7-6-9(3)11(16)8-10/h6-8,12H,4-5H2,1-3H3,(H2,17,19)(H,18,22)