6-(4-chlorophenyl)-4-oxidanylidene-2-(3-phenylpropylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-4-oxidanylidene-2-(3-phenylpropylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chlorophenyl)-4-oxo-2-(3-phenylpropylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-4-oxo-2-(3-phenylpropylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chlorophenyl)-4-oxo-2-(3-phenylpropylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chlorophenyl)-4-keto-2-(3-phenylpropylthio)-1H-pyrimidine-5-carbonitrile Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H16ClN3OS/c21-16-10-8-15(9-11-16)18-17(13-22)19(25)24-20(23-18)26-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H,23,24,25)