1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-2-(phenylthio)ethanone Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C3=NC(=NS3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C3=NC(=NS3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4O2S2/c1-17-15-26(11-12-27(17)22(28)16-30-20-9-4-3-5-10-20)23-24-21(25-31-23)14-18-7-6-8-19(13-18)29-2/h3-10,13,17H,11-12,14-16H2,1-2H3