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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H21N7OS2 MolecularWeight: 523.63194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)CSC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)CSC5=CC=CC=C5

InChI

InChI=1S/C27H21N7OS2/c28-16-20-17-29-34(22-12-6-2-7-13-22)26(20)30-25(35)19-37-27-32-31-24(18-36-23-14-8-3-9-15-23)33(27)21-10-4-1-5-11-21/h1-15,17H,18-19H2,(H,30,35)