4-(3,4-dimethylphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylthio]-5-phenyl-1,2,4-triazole Formula: C32H27N5S MolecularWeight: 513.65528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C32H27N5S/c1-23-18-19-29(20-24(23)2)37-31(26-14-8-4-9-15-26)33-34-32(37)38-22-27-21-36(28-16-10-5-11-17-28)35-30(27)25-12-6-3-7-13-25/h3-21H,22H2,1-2H3