2-[(4-cyanophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-cyanophenyl)methylthio]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-cyanobenzyl)thio]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C20H14N4O2S MolecularWeight: 374.41576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C20H14N4O2S/c1-26-16-8-6-15(7-9-16)18-17(11-22)19(25)24-20(23-18)27-12-14-4-2-13(10-21)3-5-14/h2-9H,12H2,1H3,(H,23,24,25)