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

Systemtic Name: 2-[2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Openeye Name: 2-[2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine CAS Name: 2-[2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]pyridine IUPAC Name: 2-[2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Traditional Name: 2-[2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]pyridine Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCC3=CC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCC3=CC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C23H23N5S/c1-17(2)20-10-3-4-11-21(20)28-22(18-8-7-13-24-16-18)26-27-23(28)29-15-12-19-9-5-6-14-25-19/h3-11,13-14,16-17H,12,15H2,1-2H3