6-(3-methoxyphenyl)-4-oxidanylidene-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-methoxyphenyl)-4-oxidanylidene-2-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-methoxyphenyl)-4-oxo-2-[1-(phenothiazine-10-carbonyl)propylsulfanyl]-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxyphenyl)-4-oxo-2-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxyphenyl)-4-oxo-2-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxyphenyl)-2-[1-(phenothiazine-10-carbonyl)propylthio]-1H-pyrimidine-5-carbonitrile Formula: C28H22N4O3S2 MolecularWeight: 526.62928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC(=O)C(=C(N4)C5=CC(=CC=C5)OC)C#N

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC(=O)C(=C(N4)C5=CC(=CC=C5)OC)C#N

InChI

InChI=1S/C28H22N4O3S2/c1-3-22(27(34)32-20-11-4-6-13-23(20)36-24-14-7-5-12-21(24)32)37-28-30-25(19(16-29)26(33)31-28)17-9-8-10-18(15-17)35-2/h4-15,22H,3H2,1-2H3,(H,30,31,33)