6-(4-chlorophenyl)-2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-(3-oxo-3-phenothiazin-10-yl-propyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-[[3-oxo-3-(10-phenothiazinyl)propyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-2-[(3-keto-3-phenothiazin-10-yl-propyl)thio]nicotinonitrile Formula: C27H18ClN3OS2 MolecularWeight: 500.03432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCSC4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCSC4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C27H18ClN3OS2/c28-20-12-9-18(10-13-20)21-14-11-19(17-29)27(30-21)33-16-15-26(32)31-22-5-1-3-7-24(22)34-25-8-4-2-6-23(25)31/h1-14H,15-16H2