2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-imidazo[1,2-a]pyridine

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-imidazo[1,2-a]pyridine Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-imidazo[1,2-a]pyridine CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitroimidazo[1,2-a]pyridine IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitroimidazo[1,2-a]pyridine Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitro-imidazo[1,2-a]pyridine Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=C(N4C=CC=CC4=N3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=C(N4C=CC=CC4=N3)[N+](=O)[O-])OC1

InChI

InChI=1S/C16H13N3O4S/c20-19(21)16-15(17-14-4-1-2-7-18(14)16)24-11-5-6-12-13(10-11)23-9-3-8-22-12/h1-2,4-7,10H,3,8-9H2