2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylpiperidino)ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O2S/c1-16-5-4-12-26(14-16)20(28)15-30-22-25-24-21(17-8-10-23-11-9-17)27(22)18-6-3-7-19(13-18)29-2/h3,6-11,13,16H,4-5,12,14-15H2,1-2H3