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

Systemtic Name: 4-oxidanylidene-2-pentylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-pentylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(pentylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-pentylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(amylthio)-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H17N3OS/c1-2-3-7-10-21-16-18-14(12-8-5-4-6-9-12)13(11-17)15(20)19-16/h4-6,8-9H,2-3,7,10H2,1H3,(H,18,19,20)