1-[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]prop-2-en-1-one

Systemtic Name: 1-[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]prop-2-en-1-one Openeye Name: 1-[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]prop-2-en-1-one CAS Name: 1-[2-butyl-4-[(4-methoxyphenyl)methylthio]-1H-imidazol-5-yl]-2-propen-1-one IUPAC Name: 1-[2-butyl-4-[(4-methoxyphenyl)methylsulfanyl]-1H-imidazol-5-yl]prop-2-en-1-one Traditional Name: 1-[2-butyl-4-(p-anisylthio)-1H-imidazol-5-yl]prop-2-en-1-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C(=O)C=C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC1=NC(=C(N1)C(=O)C=C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O2S/c1-4-6-7-16-19-17(15(21)5-2)18(20-16)23-12-13-8-10-14(22-3)11-9-13/h5,8-11H,2,4,6-7,12H2,1,3H3,(H,19,20)