4-oxidanylidene-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-benzyloxyphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-benzoxyphenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)NC(=S)N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)NC(=S)N3)C#N

InChI

InChI=1S/C18H13N3O2S/c19-10-15-16(20-18(24)21-17(15)22)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,11H2,(H2,20,21,22,24)