(E)-2-[6-chloranyl-7-(4,7-dihydro-2,1,3-benzothiadiazol-4-ylcarbamoyl)-1,1-bis(oxidanylidene)-1$l^{6},4,2-benzodithiazin-3-yl]-1-(4-chlorophenyl)-2-cyano-ethenolate; N,N-dimethylpyridin-1-ium-4-amine

Systemtic Name: (E)-2-[6-chloranyl-7-(4,7-dihydro-2,1,3-benzothiadiazol-4-ylcarbamoyl)-1,1-bis(oxidanylidene)-1$l^{6},4,2-benzodithiazin-3-yl]-1-(4-chlorophenyl)-2-cyano-ethenolate; N,N-dimethylpyridin-1-ium-4-amine Openeye Name: (E)-2-[6-chloro-7-(4,7-dihydro-2,1,3-benzothiadiazol-4-ylcarbamoyl)-1,1-dioxo-1$l^{6},4,2-benzodithiazin-3-yl]-1-(4-chlorophenyl)-2-cyano-ethenolate; N,N-dimethylpyridin-1-ium-4-amine CAS Name: (E)-2-[6-chloro-7-[(4,7-dihydro-2,1,3-benzothiadiazol-4-ylamino)-oxomethyl]-1,1-dioxo-1$l^{6},4,2-benzodithiazin-3-yl]-1-(4-chlorophenyl)-2-cyanoethenolate; N,N-dimethyl-4-pyridin-1-iumamine IUPAC Name: (E)-2-[6-chloro-7-(4,7-dihydro-2,1,3-benzothiadiazol-4-ylcarbamoyl)-1,1-dioxo-1$l^{6},4,2-benzodithiazin-3-yl]-1-(4-chlorophenyl)-2-cyanoethenolate; N,N-dimethylpyridin-1-ium-4-amine Traditional Name: (E)-2-[6-chloro-7-(4,7-dihydropiazthiol-4-ylcarbamoyl)-1,1-diketo-1$l^{6},4,2-benzodithiazin-3-yl]-1-(4-chlorophenyl)-2-cyano-ethenolate; dimethyl(pyridin-1-ium-4-yl)amine Formula: C30H23Cl2N7O4S3 MolecularWeight: 712.64912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[NH+]C=C1.C1C=CC(C2=NSN=C21)NC(=O)C3=CC4=C(C=C3Cl)SC(=NS4(=O)=O)C(=C(C5=CC=C(C=C5)Cl)[O-])C#N

Isomeric SMILES

CN(C)C1=CC=[NH+]C=C1.C1C=CC(C2=NSN=C21)NC(=O)C3=CC4=C(C=C3Cl)SC(=NS4(=O)=O)/C(=C(\C5=CC=C(C=C5)Cl)/[O-])/C#N

InChI

InChI=1S/C23H13Cl2N5O4S3.C7H10N2/c24-12-6-4-11(5-7-12)21(31)14(10-26)23-30-37(33,34)19-8-13(15(25)9-18(19)35-23)22(32)27-16-2-1-3-17-20(16)29-36-28-17;1-9(2)7-3-5-8-6-4-7/h1-2,4-9,16,31H,3H2,(H,27,32);3-6H,1-2H3/b21-14+;