2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C33H22ClN3O2S2 MolecularWeight: 592.12968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C33H22ClN3O2S2/c1-39-24-14-11-21(12-15-24)25-18-27(22-7-3-2-4-8-22)36-33(26(25)19-35)40-20-32(38)37-28-9-5-6-10-30(28)41-31-16-13-23(34)17-29(31)37/h2-18H,20H2,1H3