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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-methylpiperidino)ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-17-7-6-14-26(15-17)21(28)16-30-23-25-24-22(18-10-12-20(29-2)13-11-18)27(23)19-8-4-3-5-9-19/h3-5,8-13,17H,6-7,14-16H2,1-2H3