2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H26N4OS/c1-23-19(17-7-8-17)21-22-20(23)26-14-18(25)24-11-9-16(10-12-24)13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3