6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-imidazo[2,1-b][1,3]thiazole

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-imidazo[2,1-b][1,3]thiazole Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-imidazo[2,1-b]thiazole CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-5-nitroimidazo[2,1-b]thiazole IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitroimidazo[2,1-b][1,3]thiazole Traditional Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-5-nitro-imidazo[2,1-b]thiazole Formula: C14H11N3O4S2 MolecularWeight: 349.38484

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=C(N4C=CSC4=N3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=C(N4C=CSC4=N3)[N+](=O)[O-])OC1

InChI

InChI=1S/C14H11N3O4S2/c18-17(19)13-12(15-14-16(13)4-7-22-14)23-9-2-3-10-11(8-9)21-6-1-5-20-10/h2-4,7-8H,1,5-6H2