2-[1-[(3,5-dimethylphenyl)methyl]-6-sulfanylidene-pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-[(3,5-dimethylphenyl)methyl]-6-sulfanylidene-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-[(3,5-dimethylphenyl)methyl]-6-thioxo-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-[(3,5-dimethylphenyl)methyl]-6-sulfanylidene-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[1-[(3,5-dimethylphenyl)methyl]-6-sulfanylidenepyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(3,5-dimethylbenzyl)-6-thioxo-pyrimidin-2-yl]thio]acetonitrile Formula: C15H15N3S2 MolecularWeight: 301.4297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(=S)C=CN=C2SCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C(=S)C=CN=C2SCC#N)C

InChI

InChI=1S/C15H15N3S2/c1-11-7-12(2)9-13(8-11)10-18-14(19)3-5-17-15(18)20-6-4-16/h3,5,7-9H,6,10H2,1-2H3