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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H18N8OS MolecularWeight: 430.48562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)N

InChI

InChI=1S/C21H18N8OS/c22-11-16-12-24-29(17-9-5-2-6-10-17)19(16)25-18(30)13-28-20(23)26-27-21(28)31-14-15-7-3-1-4-8-15/h1-10,12H,13-14H2,(H2,23,26)(H,25,30)