[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)sulfanyl-3-pyridyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-[(2,5-dimethylphenyl)thio]-3-pyridyl]-(4-phenylpiperazino)methanone Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3OS/c1-18-10-11-19(2)22(17-18)29-23-21(9-6-12-25-23)24(28)27-15-13-26(14-16-27)20-7-4-3-5-8-20/h3-12,17H,13-16H2,1-2H3