6-(4-methoxyphenyl)-4-oxidanylidene-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-(2-thienyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-(2-thienyl)-1H-pyrimidine-5-carbonitrile Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)C3=CC=CS3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)C3=CC=CS3)C#N

InChI

InChI=1S/C16H11N3O2S/c1-21-11-6-4-10(5-7-11)14-12(9-17)16(20)19-15(18-14)13-3-2-8-22-13/h2-8H,1H3,(H,18,19,20)