5-ethanoyl-6-methyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethylthio]nicotinonitrile Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N)C(=O)C

InChI

InChI=1S/C18H15N3O4S2/c1-11-15(12(2)22)9-13(10-19)17(20-11)26-8-7-21-18(23)14-5-3-4-6-16(14)27(21,24)25/h3-6,9H,7-8H2,1-2H3