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

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methylthio]-4-phenyl-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 3-(p-anisylthio)-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C29H24N6OS MolecularWeight: 504.60546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C29H24N6OS/c1-36-25-16-14-22(15-17-25)21-37-29-32-31-27(34(29)23-10-4-2-5-11-23)26-20-30-35(24-12-6-3-7-13-24)28(26)33-18-8-9-19-33/h2-20H,21H2,1H3