1-[(E)-1-(6-nitro-2-oxidanylidene-chromen-3-yl)ethylideneamino]thiourea

Systemtic Name: 1-[(E)-1-(6-nitro-2-oxidanylidene-chromen-3-yl)ethylideneamino]thiourea Openeye Name: [(E)-1-(6-nitro-2-oxo-chromen-3-yl)ethylideneamino]thiourea CAS Name: [(E)-1-(6-nitro-2-oxo-1-benzopyran-3-yl)ethylideneamino]thiourea IUPAC Name: [(E)-1-(6-nitro-2-oxochromen-3-yl)ethylideneamino]thiourea Traditional Name: [(E)-1-(2-keto-6-nitro-chromen-3-yl)ethylideneamino]thiourea Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

C/C(=N\NC(=S)N)/C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C12H10N4O4S/c1-6(14-15-12(13)21)9-5-7-4-8(16(18)19)2-3-10(7)20-11(9)17/h2-5H,1H3,(H3,13,15,21)/b14-6+