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

Systemtic Name: 3-[4-(2-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(o-tolyl)-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2-methylphenyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(o-tolyl)-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCC3=CC=NC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCC3=CC=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H19N5S/c1-16-5-2-3-7-19(16)26-20(18-6-4-11-23-15-18)24-25-21(26)27-14-10-17-8-12-22-13-9-17/h2-9,11-13,15H,10,14H2,1H3