1-azanyl-3-[(5-nitro-3-oxidanylidene-2-phenyl-1,2-diazinan-4-yl)amino]thiourea

Systemtic Name: 1-azanyl-3-[(5-nitro-3-oxidanylidene-2-phenyl-1,2-diazinan-4-yl)amino]thiourea Openeye Name: 1-amino-3-[(5-nitro-3-oxo-2-phenyl-hexahydropyridazin-4-yl)amino]thiourea CAS Name: 1-amino-3-[(5-nitro-3-oxo-2-phenyl-4-diazinanyl)amino]thiourea IUPAC Name: 1-amino-3-[(5-nitro-3-oxo-2-phenyldiazinan-4-yl)amino]thiourea Traditional Name: 1-amino-3-[(3-keto-5-nitro-2-phenyl-hexahydropyridazin-4-yl)amino]thiourea Formula: C11H15N7O3S MolecularWeight: 325.3469

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N(N1)C2=CC=CC=C2)NNC(=S)NN)[N+](=O)[O-]

Isomeric SMILES

C1C(C(C(=O)N(N1)C2=CC=CC=C2)NNC(=S)NN)[N+](=O)[O-]

InChI

InChI=1S/C11H15N7O3S/c12-14-11(22)16-15-9-8(18(20)21)6-13-17(10(9)19)7-4-2-1-3-5-7/h1-5,8-9,13,15H,6,12H2,(H2,14,16,22)