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

Systemtic Name: 4-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 4-(p-tolyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 4-(p-tolyl)-3-[(4-pyrazol-1-ylbenzyl)thio]-5-pyrrolidino-1,2,4-triazole Formula: C23H24N6S MolecularWeight: 416.54186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)N5CCCC5

InChI

InChI=1S/C23H24N6S/c1-18-5-9-21(10-6-18)29-22(27-14-2-3-15-27)25-26-23(29)30-17-19-7-11-20(12-8-19)28-16-4-13-24-28/h4-13,16H,2-3,14-15,17H2,1H3