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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C15H13FN4O3S MolecularWeight: 348.352123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C15H13FN4O3S/c16-12-4-1-10(2-5-12)8-17-15(24)19-18-9-11-3-6-14(21)13(7-11)20(22)23/h1-7,9,18H,8H2,(H2,17,19,24)