3,5-bis[[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]isothiazole-4-carbonitrile Formula: C32H18Cl2N4O2S5 MolecularWeight: 721.74192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=C(C(=NS4)SCC(=O)N5C6=CC=CC=C6SC7=C5C=C(C=C7)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=C(C(=NS4)SCC(=O)N5C6=CC=CC=C6SC7=C5C=C(C=C7)Cl)C#N

InChI

InChI=1S/C32H18Cl2N4O2S5/c33-18-9-11-27-23(13-18)37(21-5-1-3-7-25(21)43-27)29(39)16-41-31-20(15-35)32(45-36-31)42-17-30(40)38-22-6-2-4-8-26(22)44-28-12-10-19(34)14-24(28)38/h1-14H,16-17H2