2-[4-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C23H22N4O3S3 MolecularWeight: 498.64078

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=C1C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CSCC2=C1C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C23H22N4O3S3/c24-15-17-5-1-2-6-20(17)33(29,30)27-12-10-25(11-13-27)22(28)21-18-7-14-31-16-19(18)32-23(21)26-8-3-4-9-26/h1-6,8-9H,7,10-14,16H2