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

Systemtic Name: 2-azanyl-6-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-isopropylphenyl)-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-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(3-keto-3-phenothiazin-10-yl-propyl)thio]-4-p-cumenyl-dinicotinonitrile Formula: C31H25N5OS2 MolecularWeight: 547.6931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N)C#N

InChI

InChI=1S/C31H25N5OS2/c1-19(2)20-11-13-21(14-12-20)29-22(17-32)30(34)35-31(23(29)18-33)38-16-15-28(37)36-24-7-3-5-9-26(24)39-27-10-6-4-8-25(27)36/h3-14,19H,15-16H2,1-2H3,(H2,34,35)