N-(1,2,3-thiadiazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-(1,2,3-thiadiazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-(thiadiazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-(4-thiadiazolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-(thiadiazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(thiadiazol-4-ylmethyl)amine Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCC3=CSN=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCC3=CSN=N3)OC1

InChI

InChI=1S/C12H13N3O2S/c1-4-16-11-3-2-9(6-12(11)17-5-1)13-7-10-8-18-15-14-10/h2-3,6,8,13H,1,4-5,7H2