5-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-diphenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-diphenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-diphenyl-pyrazole-4-carbonitrile CAS Name: 5-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]-1,3-diphenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-diphenylpyrazole-4-carbonitrile Traditional Name: 5-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]-1,3-diphenyl-pyrazole-4-carbonitrile Formula: C33H24N6OS2 MolecularWeight: 584.71326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2C#N)SCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2C#N)SCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H24N6OS2/c34-21-28-31(25-15-7-2-8-16-25)37-39(27-19-11-4-12-20-27)32(28)41-23-30-35-36-33(38(30)26-17-9-3-10-18-26)42-22-29(40)24-13-5-1-6-14-24/h1-20H,22-23H2