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

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 3-(m-tolylmethylsulfanyl)-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 3-[(3-methylphenyl)methylthio]-4-phenyl-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 3-[(3-methylbenzyl)thio]-4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C29H24N6S MolecularWeight: 488.60606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C29H24N6S/c1-22-11-10-12-23(19-22)21-36-29-32-31-27(34(29)24-13-4-2-5-14-24)26-20-30-35(25-15-6-3-7-16-25)28(26)33-17-8-9-18-33/h2-20H,21H2,1H3