(E)-1-cyclopropyl-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-cyclopropyl-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-cyclopropyl-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-cyclopropyl-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-cyclopropyl-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-cyclopropyl-3-[3-methoxy-4-[(phenylthio)methyl]phenyl]prop-2-en-1-one Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2CC2)CSC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2CC2)CSC3=CC=CC=C3

InChI

InChI=1S/C20H20O2S/c1-22-20-13-15(8-12-19(21)16-10-11-16)7-9-17(20)14-23-18-5-3-2-4-6-18/h2-9,12-13,16H,10-11,14H2,1H3/b12-8+