1-(3-nitrophenyl)sulfonyl-2-prop-2-enylsulfanyl-benzimidazole

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-2-prop-2-enylsulfanyl-benzimidazole Openeye Name: 2-allylsulfanyl-1-(3-nitrophenyl)sulfonyl-benzimidazole CAS Name: 1-(3-nitrophenyl)sulfonyl-2-(prop-2-enylthio)benzimidazole IUPAC Name: 1-(3-nitrophenyl)sulfonyl-2-prop-2-enylsulfanylbenzimidazole Traditional Name: 2-(allylthio)-1-(3-nitrophenyl)sulfonyl-benzimidazole Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S2/c1-2-10-24-16-17-14-8-3-4-9-15(14)18(16)25(22,23)13-7-5-6-12(11-13)19(20)21/h2-9,11H,1,10H2