4-[4-ethyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline

Systemtic Name: 4-[4-ethyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[4-ethyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[4-ethyl-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[4-ethyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[4-ethyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C26H29N5S MolecularWeight: 443.60696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCN2CCCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCCN2CCCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5S/c1-2-31-25(28-29-26(31)32-18-17-30-15-9-4-10-16-30)22-19-24(20-11-5-3-6-12-20)27-23-14-8-7-13-21(22)23/h3,5-8,11-14,19H,2,4,9-10,15-18H2,1H3