4-[(5-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(5-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(5-methyl-4-oxo-2-thioxo-1H-pyrimidin-6-yl)methyl]benzonitrile CAS Name: 4-[(5-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]benzonitrile IUPAC Name: 4-[(5-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-5-methyl-2-thioxo-1H-pyrimidin-6-yl)methyl]benzonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)NC1=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(NC(=S)NC1=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3OS/c1-8-11(15-13(18)16-12(8)17)6-9-2-4-10(7-14)5-3-9/h2-5H,6H2,1H3,(H2,15,16,17,18)