6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-methoxyphenyl)-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(phenylmethylthio)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-methoxyphenyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-(4-methoxyphenyl)-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C19H15N3OS2 MolecularWeight: 365.4719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3OS2/c1-23-15-9-7-14(8-10-15)17-16(11-20)18(24)22-19(21-17)25-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H,21,22,24)