3-(4-chlorophenyl)carbonyl-4,4-bis(methylsulfanyl)but-3-enenitrile

Systemtic Name: 3-(4-chlorophenyl)carbonyl-4,4-bis(methylsulfanyl)but-3-enenitrile Openeye Name: 3-(4-chlorobenzoyl)-4,4-bis(methylsulfanyl)but-3-enenitrile CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-4,4-bis(methylthio)-3-butenenitrile IUPAC Name: 3-(4-chlorobenzoyl)-4,4-bis(methylsulfanyl)but-3-enenitrile Traditional Name: 3-(4-chlorobenzoyl)-4,4-bis(methylthio)but-3-enenitrile Formula: C13H12ClNOS2 MolecularWeight: 297.82348

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(CC#N)C(=O)C1=CC=C(C=C1)Cl)SC

Isomeric SMILES

CSC(=C(CC#N)C(=O)C1=CC=C(C=C1)Cl)SC

InChI

InChI=1S/C13H12ClNOS2/c1-17-13(18-2)11(7-8-15)12(16)9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3