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

Systemtic Name: (E)-3-(4-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-nitrophenyl)-1-[2-(prop-2-ynylthio)-1-benzimidazolyl]-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-[2-(propargylthio)benzimidazol-1-yl]prop-2-en-1-one Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=CC=CC=C2N1C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2N1C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O3S/c1-2-13-26-19-20-16-5-3-4-6-17(16)21(19)18(23)12-9-14-7-10-15(11-8-14)22(24)25/h1,3-12H,13H2/b12-9+