2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-3-pyrazolyl)propanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenylpyrazol-3-yl)propanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)propionamide Formula: C16H16N8OS MolecularWeight: 368.41624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)N3C(=NN=C3SC)N

Isomeric SMILES

CC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)N3C(=NN=C3SC)N

InChI

InChI=1S/C16H16N8OS/c1-10(23-15(18)21-22-16(23)26-2)14(25)20-13-11(8-17)9-19-24(13)12-6-4-3-5-7-12/h3-7,9-10H,1-2H3,(H2,18,21)(H,20,25)