[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C18H21N3O3S2/c1-13-5-6-14(2)16(12-13)26(23,24)21-10-8-20(9-11-21)18(22)15-4-3-7-19-17(15)25/h3-7,12H,8-11H2,1-2H3,(H,19,25)