(E)-2-(4-chlorophenyl)carbonyl-3-(4-methylsulfanylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(4-methylsulfanylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-[4-(methylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-[4-(methylthio)phenyl]acrylonitrile Formula: C17H12ClNOS MolecularWeight: 313.80128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H12ClNOS/c1-21-16-8-2-12(3-9-16)10-14(11-19)17(20)13-4-6-15(18)7-5-13/h2-10H,1H3/b14-10+