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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-3-pyrazolyl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methylpyrazol-3-yl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-pyrazol-3-yl)acetamide Formula: C17H18N8OS MolecularWeight: 382.44282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C17H18N8OS/c1-24-15(13(9-18)10-20-24)21-14(26)11-25-16(19)22-23-17(25)27-8-7-12-5-3-2-4-6-12/h2-6,10H,7-8,11H2,1H3,(H2,19,22)(H,21,26)