2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chlorophenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chlorophenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chlorophenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-chlorophenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chlorophenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-chlorophenyl)butyramide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5OS/c1-2-17(18(27)23-16-10-6-9-15(21)13-16)26-19(22)24-25-20(26)28-12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H2,22,24)(H,23,27)