1-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-6,7-dihydrobenzotriazol-4-yl]amino]thiourea

Systemtic Name: 1-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-6,7-dihydrobenzotriazol-4-yl]amino]thiourea Openeye Name: [[1-(4-amino-1,2,5-oxadiazol-3-yl)-6,7-dihydrobenzotriazol-4-yl]amino]thiourea CAS Name: [[1-(4-amino-1,2,5-oxadiazol-3-yl)-6,7-dihydrobenzotriazol-4-yl]amino]thiourea IUPAC Name: [[1-(4-amino-1,2,5-oxadiazol-3-yl)-6,7-dihydrobenzotriazol-4-yl]amino]thiourea Traditional Name: [[1-(4-aminofurazan-3-yl)-6,7-dihydrobenzotriazol-4-yl]amino]thiourea Formula: C9H11N9OS MolecularWeight: 293.30834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C1)NNC(=S)N)N=NN2C3=NON=C3N

Isomeric SMILES

C1CC2=C(C(=C1)NNC(=S)N)N=NN2C3=NON=C3N

InChI

InChI=1S/C9H11N9OS/c10-7-8(16-19-15-7)18-5-3-1-2-4(6(5)13-17-18)12-14-9(11)20/h2,12H,1,3H2,(H2,10,15)(H3,11,14,20)