2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NN=C(S3)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NN=C(S3)N)OC1

InChI

InChI=1S/C13H13N3O3S2/c14-12-15-16-13(21-12)20-7-9(17)8-2-3-10-11(6-8)19-5-1-4-18-10/h2-3,6H,1,4-5,7H2,(H2,14,15)