3-[4-(2,6-diethylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2,6-diethylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2,6-diethylphenyl)-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,6-diethylphenyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2,6-diethylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2,6-diethylphenyl)-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C24H25N5S MolecularWeight: 415.5538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCCC3=CC=NC=C3)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCCC3=CC=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H25N5S/c1-3-19-7-5-8-20(4-2)22(19)29-23(21-9-6-13-26-17-21)27-28-24(29)30-16-12-18-10-14-25-15-11-18/h5-11,13-15,17H,3-4,12,16H2,1-2H3