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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-3-pyrazolyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methylpyrazol-3-yl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-pyrazol-3-yl)butyramide Formula: C19H22N8OS MolecularWeight: 410.49598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C#N)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C#N)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C19H22N8OS/c1-3-15(17(28)23-16-14(11-20)12-22-26(16)2)27-18(21)24-25-19(27)29-10-9-13-7-5-4-6-8-13/h4-8,12,15H,3,9-10H2,1-2H3,(H2,21,24)(H,23,28)