2-(4-methylphenyl)sulfonyl-3-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)prop-2-enenitrile Openeye Name: 3-(4-oxo-2-thioxo-pyrimidin-1-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-(4-oxo-2-sulfanylidene-1-pyrimidinyl)-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-(4-oxo-2-sulfanylidenepyrimidin-1-yl)prop-2-enenitrile Traditional Name: 3-(4-keto-2-thioxo-pyrimidin-1-yl)-2-tosyl-acrylonitrile Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2C=CC(=O)NC2=S)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2C=CC(=O)NC2=S)C#N

InChI

InChI=1S/C14H11N3O3S2/c1-10-2-4-11(5-3-10)22(19,20)12(8-15)9-17-7-6-13(18)16-14(17)21/h2-7,9H,1H3,(H,16,18,21)