4-[4-(3,4-dimethylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(3,4-dimethylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(3,4-dimethylphenyl)-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(3,4-dimethylphenyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(3,4-dimethylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(3,4-dimethylphenyl)-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC3=CC=NC=C3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC3=CC=NC=C3)C4=CC=NC=C4)C

InChI

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