1-[[(E)-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea

Systemtic Name: 1-[[(E)-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Openeye Name: [[(E)-(2-chloro-3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea CAS Name: [[(E)-(2-chloro-3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]thiourea IUPAC Name: [[(E)-(2-chloro-3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Traditional Name: [[(E)-(2-chloro-3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Formula: C9H9ClIN3O2S MolecularWeight: 385.60913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)N)C(=C(C1=O)I)Cl

Isomeric SMILES

COC1=C/C(=C\NNC(=S)N)/C(=C(C1=O)I)Cl

InChI

InChI=1S/C9H9ClIN3O2S/c1-16-5-2-4(3-13-14-9(12)17)6(10)7(11)8(5)15/h2-3,13H,1H3,(H3,12,14,17)/b4-3+