1-[(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-ethyl-thiourea

Systemtic Name: 1-[(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-ethyl-thiourea Openeye Name: 1-[(3-ethoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-ethyl-thiourea CAS Name: 1-[(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-ethylthiourea IUPAC Name: 1-[(3-ethoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-ethylthiourea Traditional Name: 1-[(3-ethoxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-ethyl-thiourea Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC=C1C=C(C(=O)C(=C1)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)NNC=C1C=C(C(=O)C(=C1)OCC)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-3-13-12(21)15-14-7-8-5-9(16(18)19)11(17)10(6-8)20-4-2/h5-7,14H,3-4H2,1-2H3,(H2,13,15,21)