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

Systemtic Name: 1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-methyl-thiourea Openeye Name: 1-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-methyl-thiourea CAS Name: 1-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-methylthiourea IUPAC Name: 1-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-methylthiourea Traditional Name: 1-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-methyl-thiourea Formula: C9H10ClN3O2S MolecularWeight: 259.7126

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

Isomeric SMILES

CNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

InChI

InChI=1S/C9H10ClN3O2S/c1-11-9(16)13-12-4-5-2-6(10)8(15)7(14)3-5/h2-4,12,14H,1H3,(H2,11,13,16)