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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-3-pyrazolyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methylpyrazol-3-yl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-pyrazol-3-yl)acetamide Formula: C16H16N8OS MolecularWeight: 368.41624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C16H16N8OS/c1-23-14(12(7-17)8-19-23)20-13(25)9-24-15(18)21-22-16(24)26-10-11-5-3-2-4-6-11/h2-6,8H,9-10H2,1H3,(H2,18,21)(H,20,25)