4-methyl-3-(phenylmethylsulfanyl)-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(phenylmethylsulfanyl)-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 4-methyl-3-(phenylmethylthio)-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole Formula: C23H20N6S MolecularWeight: 412.5101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6S/c1-27-21(25-26-23(27)30-17-18-10-4-2-5-11-18)20-16-24-29(19-12-6-3-7-13-19)22(20)28-14-8-9-15-28/h2-16H,17H2,1H3