2-[3,7-dimethoxy-10-methyl-6-[(3-oxidanylidene-1H-isoindol-2-yl)carbonyl]phenothiazin-4-yl]ethanenitrile

Systemtic Name: 2-[3,7-dimethoxy-10-methyl-6-[(3-oxidanylidene-1H-isoindol-2-yl)carbonyl]phenothiazin-4-yl]ethanenitrile Openeye Name: 2-[3,7-dimethoxy-10-methyl-6-(1-oxoisoindoline-2-carbonyl)phenothiazin-4-yl]acetonitrile CAS Name: 2-[3,7-dimethoxy-10-methyl-6-[oxo-(3-oxo-1H-isoindol-2-yl)methyl]-4-phenothiazinyl]acetonitrile IUPAC Name: 2-[3,7-dimethoxy-10-methyl-6-(3-oxo-1H-isoindole-2-carbonyl)phenothiazin-4-yl]acetonitrile Traditional Name: 2-[6-(1-ketoisoindoline-2-carbonyl)-3,7-dimethoxy-10-methyl-phenothiazin-4-yl]acetonitrile Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)OC)CC#N)SC3=C1C=CC(=C3C(=O)N4CC5=CC=CC=C5C4=O)OC

Isomeric SMILES

CN1C2=C(C(=C(C=C2)OC)CC#N)SC3=C1C=CC(=C3C(=O)N4CC5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C26H21N3O4S/c1-28-18-8-10-20(32-2)17(12-13-27)23(18)34-24-19(28)9-11-21(33-3)22(24)26(31)29-14-15-6-4-5-7-16(15)25(29)30/h4-11H,12,14H2,1-3H3