(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-[4-(methylthio)phenyl]acrylamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC=C(C=C2)SC)C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(C=C2)SC)/C#N

InChI

InChI=1S/C18H22N2OS/c1-13-5-3-4-6-17(13)20-18(21)15(12-19)11-14-7-9-16(22-2)10-8-14/h7-11,13,17H,3-6H2,1-2H3,(H,20,21)/b15-11+/t13-,17-/m0/s1