5-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-5-[3-keto-3-(4-piazthiol-4-ylsulfonylpiperazino)propyl]-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C21H22N6O4S2 MolecularWeight: 486.56718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C)C#N

InChI

InChI=1S/C21H22N6O4S2/c1-13-15(14(2)23-21(29)16(13)12-22)6-7-19(28)26-8-10-27(11-9-26)33(30,31)18-5-3-4-17-20(18)25-32-24-17/h3-5H,6-11H2,1-2H3,(H,23,29)