1-butyl-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-butyl-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NNC=C1C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-2-3-6-13-12(20)15-14-8-9-7-10(16(18)19)4-5-11(9)17/h4-5,7-8,14H,2-3,6H2,1H3,(H2,13,15,20)