(E)-3-(4-chlorophenyl)-1-(6-ethoxy-2-prop-2-ynylsulfanyl-benzimidazol-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-chlorophenyl)-1-(6-ethoxy-2-prop-2-ynylsulfanyl-benzimidazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-chlorophenyl)-1-(6-ethoxy-2-prop-2-ynylsulfanyl-benzimidazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-chlorophenyl)-1-[6-ethoxy-2-(prop-2-ynylthio)-1-benzimidazolyl]-2-propen-1-one IUPAC Name: (E)-3-(4-chlorophenyl)-1-(6-ethoxy-2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-chlorophenyl)-1-[6-ethoxy-2-(propargylthio)benzimidazol-1-yl]prop-2-en-1-one Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2C(=O)C=CC3=CC=C(C=C3)Cl)SCC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2C(=O)/C=C/C3=CC=C(C=C3)Cl)SCC#C

InChI

InChI=1S/C21H17ClN2O2S/c1-3-13-27-21-23-18-11-10-17(26-4-2)14-19(18)24(21)20(25)12-7-15-5-8-16(22)9-6-15/h1,5-12,14H,4,13H2,2H3/b12-7+