methyl N'-[[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: methyl N'-[[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 3-[[(E)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea CAS Name: N'-[[(E)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 3-[[(E)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-methyl-isothiourea Formula: C9H10BrN3OS MolecularWeight: 288.1642

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC=C1C=C(C=CC1=O)Br)N

Isomeric SMILES

CS/C(=N\N/C=C/1\C=C(C=CC1=O)Br)/N

InChI

InChI=1S/C9H10BrN3OS/c1-15-9(11)13-12-5-6-4-7(10)2-3-8(6)14/h2-5,12H,1H3,(H2,11,13)/b6-5+