2-[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine

Systemtic Name: 2-[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Openeye Name: 2-[2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine CAS Name: 2-[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]pyridine IUPAC Name: 2-[2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Traditional Name: 2-[2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]pyridine Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=CC=N3)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=CC=N3)C4=CC=NC=C4

InChI

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