2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H15N3O3S/c1-26-15-9-7-13(8-10-15)17(24)12-27-20-22-18(14-5-3-2-4-6-14)16(11-21)19(25)23-20/h2-10H,12H2,1H3,(H,22,23,25)