2-azanyl-6-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(3-keto-3-phenothiazin-10-yl-propyl)thio]-4-(3,4,5-trimethoxyphenyl)dinicotinonitrile Formula: C31H25N5O4S2 MolecularWeight: 595.6913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N)C#N

InChI

InChI=1S/C31H25N5O4S2/c1-38-23-14-18(15-24(39-2)29(23)40-3)28-19(16-32)30(34)35-31(20(28)17-33)41-13-12-27(37)36-21-8-4-6-10-25(21)42-26-11-7-5-9-22(26)36/h4-11,14-15H,12-13H2,1-3H3,(H2,34,35)