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

Systemtic Name: 4-phenyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-phenyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 4-phenyl-3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-phenyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-phenyl-3-[(4-pyrazol-1-ylbenzyl)thio]-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C23H24N6S MolecularWeight: 416.54186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H24N6S/c1-2-7-21(8-3-1)29-22(17-27-14-4-5-15-27)25-26-23(29)30-18-19-9-11-20(12-10-19)28-16-6-13-24-28/h1-3,6-13,16H,4-5,14-15,17-18H2