3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methylthio]-4-methyl-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 4-methyl-3-(p-anisylthio)-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)OC)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)OC)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C24H22N6OS/c1-28-22(26-27-24(28)32-17-18-10-12-20(31-2)13-11-18)21-16-25-30(19-8-4-3-5-9-19)23(21)29-14-6-7-15-29/h3-16H,17H2,1-2H3