[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [2-(3,4-dimethylphenyl)sulfanyl-3-pyridyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [2-[(3,4-dimethylphenyl)thio]-3-pyridyl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C25H27N3O2S/c1-18-10-11-20(17-19(18)2)31-24-21(7-6-12-26-24)25(29)28-15-13-27(14-16-28)22-8-4-5-9-23(22)30-3/h4-12,17H,13-16H2,1-3H3