5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1,3,4-thiadiazole-2-thiolate CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1,3,4-thiadiazole-2-thiolate Formula: C11H10N3O2S2- MolecularWeight: 280.346

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=NN=C(S3)[S-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=NN=C(S3)[S-])OC1

InChI

InChI=1S/C11H11N3O2S2/c17-11-14-13-10(18-11)12-7-2-3-8-9(6-7)16-5-1-4-15-8/h2-3,6H,1,4-5H2,(H,12,13)(H,14,17)/p-1