2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-3-pyrazolyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenylpyrazol-3-yl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)butyramide Formula: C23H22N8OS MolecularWeight: 458.53878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C23H22N8OS/c1-2-19(30-22(25)28-29-23(30)33-15-16-9-5-3-6-10-16)21(32)27-20-17(13-24)14-26-31(20)18-11-7-4-8-12-18/h3-12,14,19H,2,15H2,1H3,(H2,25,28)(H,27,32)