1,3-benzodioxol-5-yl-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-[2-(prop-2-ynylthio)-1-benzimidazolyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-[2-(propargylthio)benzimidazol-1-yl]methanone Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O3S/c1-2-9-24-18-19-13-5-3-4-6-14(13)20(18)17(21)12-7-8-15-16(10-12)23-11-22-15/h1,3-8,10H,9,11H2