5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4,6-dimethyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4,6-dimethyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-[2-(4-bromophenyl)-2-oxo-ethyl]-4,6-dimethyl-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-[2-(4-bromophenyl)-2-keto-ethyl]-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C30H22BrN3O2S2 MolecularWeight: 600.54858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC(=O)C2=CC=C(C=C2)Br)C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N

InChI

InChI=1S/C30H22BrN3O2S2/c1-18-22(15-26(35)20-11-13-21(31)14-12-20)19(2)33-30(23(18)16-32)37-17-29(36)34-24-7-3-5-9-27(24)38-28-10-6-4-8-25(28)34/h3-14H,15,17H2,1-2H3