(E)-3-(1,3-benzodioxol-5-yl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[2-(prop-2-ynylthio)-1-benzimidazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[2-(propargylthio)benzimidazol-1-yl]prop-2-en-1-one Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=CC=CC=C2N1C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2N1C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H14N2O3S/c1-2-11-26-20-21-15-5-3-4-6-16(15)22(20)19(23)10-8-14-7-9-17-18(12-14)25-13-24-17/h1,3-10,12H,11,13H2/b10-8+