2-(4-methylphenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile Openeye Name: 2-(4-methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile CAS Name: 2-[(4-methylphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile IUPAC Name: 2-(4-methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile Traditional Name: 3,3-bis(methylthio)-2-p-toluoyl-acrylonitrile Formula: C13H13NOS2 MolecularWeight: 263.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C(SC)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(=C(SC)SC)C#N

InChI

InChI=1S/C13H13NOS2/c1-9-4-6-10(7-5-9)12(15)11(8-14)13(16-2)17-3/h4-7H,1-3H3