5-nitro-1-prop-2-enyl-2-prop-2-enylsulfanyl-benzimidazole

Systemtic Name: 5-nitro-1-prop-2-enyl-2-prop-2-enylsulfanyl-benzimidazole Openeye Name: 1-allyl-2-allylsulfanyl-5-nitro-benzimidazole CAS Name: 5-nitro-1-prop-2-enyl-2-(prop-2-enylthio)benzimidazole IUPAC Name: 5-nitro-1-prop-2-enyl-2-prop-2-enylsulfanylbenzimidazole Traditional Name: 1-allyl-2-(allylthio)-5-nitro-benzimidazole Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC=C

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC=C

InChI

InChI=1S/C13H13N3O2S/c1-3-7-15-12-6-5-10(16(17)18)9-11(12)14-13(15)19-8-4-2/h3-6,9H,1-2,7-8H2