1-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c18-12-4-3-9(6-11(12)17(19)20)7-15-16-13(22)14-8-10-2-1-5-21-10/h3-4,6-7,10,15H,1-2,5,8H2,(H2,14,16,22)/t10-/m1/s1