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

Systemtic Name: 3-[4-(2,5-dimethylphenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2,5-dimethylphenyl)-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,5-dimethylphenyl)-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2,5-dimethylphenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2,5-dimethylphenyl)-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCCN3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCCN3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5S/c1-17-8-9-18(2)20(15-17)27-21(19-7-6-10-23-16-19)24-25-22(27)28-14-13-26-11-4-3-5-12-26/h6-10,15-16H,3-5,11-14H2,1-2H3