1-[3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C3CC3)N4CCC(CC4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C3CC3)N4CCC(CC4)C

InChI

InChI=1S/C22H30N4O2S/c1-4-28-20-8-5-17(16(3)27)13-18(20)14-29-22-24-23-21(26(22)19-6-7-19)25-11-9-15(2)10-12-25/h5,8,13,15,19H,4,6-7,9-12,14H2,1-3H3