5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-2-(2-pyrrolylidene)-3H-1,3,4-oxadiazole IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Traditional Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NNC(=C4C=CC=N4)O3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NNC(=C4C=CC=N4)O3)Cl)OC1

InChI

InChI=1S/C16H14ClN3O3S/c17-11-7-10(8-13-14(11)22-6-2-5-21-13)9-24-16-20-19-15(23-16)12-3-1-4-18-12/h1,3-4,7-8,19H,2,5-6,9H2