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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)acetamide Formula: C22H20N8OS MolecularWeight: 444.5122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)N

InChI

InChI=1S/C22H20N8OS/c23-13-17-14-25-30(18-9-5-2-6-10-18)20(17)26-19(31)15-29-21(24)27-28-22(29)32-12-11-16-7-3-1-4-8-16/h1-10,14H,11-12,15H2,(H2,24,27)(H,26,31)