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

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-(4-methylsulfanylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(3-methylbenzoyl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-[4-(methylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-3-[4-(methylthio)phenyl]-2-m-toluoyl-acrylonitrile Formula: C18H15NOS MolecularWeight: 293.3828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC=C(C=C2)SC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC=C(C=C2)SC)/C#N

InChI

InChI=1S/C18H15NOS/c1-13-4-3-5-15(10-13)18(20)16(12-19)11-14-6-8-17(21-2)9-7-14/h3-11H,1-2H3/b16-11+