2-[2-(2,4-dinitrophenyl)sulfanyl-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole

Systemtic Name: 2-[2-(2,4-dinitrophenyl)sulfanyl-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole Openeye Name: 2-[2-(2,4-dinitrophenyl)sulfanyl-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole CAS Name: 2-[2-[(2,4-dinitrophenyl)thio]-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: 2-[2-(2,4-dinitrophenyl)sulfanyl-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole Traditional Name: 2-[2-[(2,4-dinitrophenyl)thio]-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole Formula: C27H23N4O4S3+ MolecularWeight: 563.69092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)SC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)SC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H23N4O4S3/c1-3-28-20-9-5-7-11-23(20)37-26(28)16-19(17-27-29(4-2)21-10-6-8-12-24(21)38-27)36-25-14-13-18(30(32)33)15-22(25)31(34)35/h5-17H,3-4H2,1-2H3/q+1