3-[4-(2-propan-2-ylphenyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2-propan-2-ylphenyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2-isopropylphenyl)-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2-propan-2-ylphenyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2-propan-2-ylphenyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-o-cumenyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=NC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H21N5S/c1-16(2)19-7-3-4-8-20(19)27-21(18-6-5-11-24-14-18)25-26-22(27)28-15-17-9-12-23-13-10-17/h3-14,16H,15H2,1-2H3