(E)-3-(3,4-dimethoxyphenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[2-(prop-2-ynylthio)-1-benzimidazolyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-[2-(propargylthio)benzimidazol-1-yl]prop-2-en-1-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2C3=CC=CC=C3N=C2SCC#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3N=C2SCC#C)OC

InChI

InChI=1S/C21H18N2O3S/c1-4-13-27-21-22-16-7-5-6-8-17(16)23(21)20(24)12-10-15-9-11-18(25-2)19(14-15)26-3/h1,5-12,14H,13H2,2-3H3/b12-10+