3,3-bis(methylsulfanyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: 3,3-bis(methylsulfanyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: 3,3-bis(methylsulfanyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: 3,3-bis(methylthio)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: 3,3-bis(methylsulfanyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: 3,3-bis(methylthio)-2-(3-nitrobenzoyl)acrylonitrile Formula: C12H10N2O3S2 MolecularWeight: 294.3494

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)C1=CC(=CC=C1)[N+](=O)[O-])SC

Isomeric SMILES

CSC(=C(C#N)C(=O)C1=CC(=CC=C1)[N+](=O)[O-])SC

InChI

InChI=1S/C12H10N2O3S2/c1-18-12(19-2)10(7-13)11(15)8-4-3-5-9(6-8)14(16)17/h3-6H,1-2H3