4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzenecarbonitrile Openeye Name: 4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile CAS Name: 4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile IUPAC Name: 4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile Traditional Name: 4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C#N)C(=O)C

InChI

InChI=1S/C14H13N3OS/c1-8-12(9(2)18)13(17-14(19)16-8)11-5-3-10(7-15)4-6-11/h3-6,13H,1-2H3,(H2,16,17,19)