1-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: [(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: [(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: [(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: [(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C9H10BrN3O2S MolecularWeight: 304.1636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)N)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNNC(=S)N)C=C(C1=O)Br

InChI

InChI=1S/C9H10BrN3O2S/c1-15-7-3-5(2-6(10)8(7)14)4-12-13-9(11)16/h2-4,12H,1H3,(H3,11,13,16)