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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C23H31N5OS/c29-21(26-14-10-19(11-15-26)16-18-6-2-1-3-7-18)17-30-23-25-24-22(27-12-4-5-13-27)28(23)20-8-9-20/h1-3,6-7,19-20H,4-5,8-17H2