4-oxidanylidene-2-phenethylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-phenethylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-phenethylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(phenethylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-phenethylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(phenethylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H15N3OS/c20-13-16-17(15-9-5-2-6-10-15)21-19(22-18(16)23)24-12-11-14-7-3-1-4-8-14/h1-10H,11-12H2,(H,21,22,23)