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

Systemtic Name: (E)-1-(6-ethoxy-2-prop-2-ynylsulfanyl-benzimidazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(6-ethoxy-2-prop-2-ynylsulfanyl-benzimidazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[6-ethoxy-2-(prop-2-ynylthio)-1-benzimidazolyl]-3-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(6-ethoxy-2-prop-2-ynylsulfanylbenzimidazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[6-ethoxy-2-(propargylthio)benzimidazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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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)OC)SCC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-4-14-28-22-23-19-12-11-18(27-5-2)15-20(19)24(22)21(25)13-8-16-6-9-17(26-3)10-7-16/h1,6-13,15H,5,14H2,2-3H3/b13-8+