methyl N'-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate

Systemtic Name: methyl N'-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 3-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-isothiourea CAS Name: N'-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 3-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-isothiourea Formula: C9H10ClN3OS MolecularWeight: 243.7132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS/C(=N/NC=C1C=C(C=CC1=O)Cl)/N

InChI

InChI=1S/C9H10ClN3OS/c1-15-9(11)13-12-5-6-4-7(10)2-3-8(6)14/h2-5,12H,1H3,(H2,11,13)