(5Z)-5-(azanylmethylidene)-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylic acid; thiourea

Systemtic Name: (5Z)-5-(azanylmethylidene)-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylic acid; thiourea Openeye Name: (5Z)-5-(aminomethylene)-6-oxo-cyclohexa-1,3-diene-1-carboxylic acid; thiourea CAS Name: (5Z)-5-(aminomethylidene)-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid; thiourea IUPAC Name: (5Z)-5-(aminomethylidene)-6-oxocyclohexa-1,3-diene-1-carboxylic acid; thiourea Traditional Name: (5Z)-5-(aminomethylene)-6-keto-cyclohexa-1,3-diene-1-carboxylic acid; thiourea Formula: C9H11N3O3S MolecularWeight: 241.26694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN)C(=O)C(=C1)C(=O)O.C(=S)(N)N

Isomeric SMILES

C1=C/C(=C/N)/C(=O)C(=C1)C(=O)O.C(=S)(N)N

InChI

InChI=1S/C8H7NO3.CH4N2S/c9-4-5-2-1-3-6(7(5)10)8(11)12;2-1(3)4/h1-4H,9H2,(H,11,12);(H4,2,3,4)/b5-4-;