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

Systemtic Name: 2-azanyl-6-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-4-propan-2-yl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-isopropyl-6-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-4-propan-2-ylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanyl-4-propan-2-ylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-isopropyl-6-[(3-keto-3-phenothiazin-10-yl-propyl)thio]dinicotinonitrile Formula: C25H21N5OS2 MolecularWeight: 471.59714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)N)C#N

InChI

InChI=1S/C25H21N5OS2/c1-15(2)23-16(13-26)24(28)29-25(17(23)14-27)32-12-11-22(31)30-18-7-3-5-9-20(18)33-21-10-6-4-8-19(21)30/h3-10,15H,11-12H2,1-2H3,(H2,28,29)