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

Systemtic Name: 4-(phenylmethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 4-(phenylmethyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-pyrazol-1-ylbenzyl)thio]-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C24H26N6S MolecularWeight: 430.56844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C24H26N6S/c1-2-7-20(8-3-1)17-29-23(18-28-14-4-5-15-28)26-27-24(29)31-19-21-9-11-22(12-10-21)30-16-6-13-25-30/h1-3,6-13,16H,4-5,14-15,17-19H2