2-[(4-nitrophenyl)methylsulfanyl]-1-prop-2-enyl-benzimidazole

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1-prop-2-enyl-benzimidazole Openeye Name: 1-allyl-2-[(4-nitrophenyl)methylsulfanyl]benzimidazole CAS Name: 2-[(4-nitrophenyl)methylthio]-1-prop-2-enylbenzimidazole IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1-prop-2-enylbenzimidazole Traditional Name: 1-allyl-2-[(4-nitrobenzyl)thio]benzimidazole Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O2S/c1-2-11-19-16-6-4-3-5-15(16)18-17(19)23-12-13-7-9-14(10-8-13)20(21)22/h2-10H,1,11-12H2