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

Systemtic Name: methyl N'-[(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 2-methyl-3-[(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]isothiourea CAS Name: N'-[(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 3-[(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-methyl-isothiourea Formula: C10H13N3OS MolecularWeight: 223.29472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNN=C(N)SC)C(=O)C=C1

Isomeric SMILES

CC1=CC(=CN/N=C(\N)/SC)C(=O)C=C1

InChI

InChI=1S/C10H13N3OS/c1-7-3-4-9(14)8(5-7)6-12-13-10(11)15-2/h3-6,12H,1-2H3,(H2,11,13)