2-[3-[(3,5-dimethylphenyl)methyl]-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-4-thioxo-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-4-sulfanylidene-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-4-sulfanylidenepyrimidin-1-yl]acetonitrile Traditional Name: 2-[3-(3,5-dimethylbenzyl)-2-keto-4-thioxo-pyrimidin-1-yl]acetonitrile Formula: C15H15N3OS MolecularWeight: 285.3641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(=S)C=CN(C2=O)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C(=S)C=CN(C2=O)CC#N)C

InChI

InChI=1S/C15H15N3OS/c1-11-7-12(2)9-13(8-11)10-18-14(20)3-5-17(6-4-16)15(18)19/h3,5,7-9H,6,10H2,1-2H3