8-chloranyl-3-[(4-methylphenyl)amino]-5,5-bis(oxidanylidene)-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile

Systemtic Name: 8-chloranyl-3-[(4-methylphenyl)amino]-5,5-bis(oxidanylidene)-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile Openeye Name: 8-chloro-3-(4-methylanilino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile CAS Name: 8-chloro-3-(4-methylanilino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile IUPAC Name: 8-chloro-3-(4-methylanilino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile Traditional Name: 8-chloro-5,5-diketo-3-(p-toluidino)-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile Formula: C16H10ClN5O2S2 MolecularWeight: 403.8659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl

InChI

InChI=1S/C16H10ClN5O2S2/c1-9-2-4-11(5-3-9)19-15-20-21-16-22(15)26(23,24)14-6-10(8-18)12(17)7-13(14)25-16/h2-7H,1H3,(H,19,20)