1-[[(E)-(5-methyl-4-oxidanylidene-isoquinolin-1-ylidene)methyl]amino]thiourea

Systemtic Name: 1-[[(E)-(5-methyl-4-oxidanylidene-isoquinolin-1-ylidene)methyl]amino]thiourea Openeye Name: [[(E)-(5-methyl-4-oxo-1-isoquinolylidene)methyl]amino]thiourea CAS Name: [[(E)-(5-methyl-4-oxo-1-isoquinolinylidene)methyl]amino]thiourea IUPAC Name: [[(E)-(5-methyl-4-oxoisoquinolin-1-ylidene)methyl]amino]thiourea Traditional Name: [[(E)-(4-keto-5-methyl-1-isoquinolylidene)methyl]amino]thiourea Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)C=NC2=CNNC(=S)N

Isomeric SMILES

CC1=CC=CC\2=C1C(=O)C=N/C2=C/NNC(=S)N

InChI

InChI=1S/C12H12N4OS/c1-7-3-2-4-8-9(5-15-16-12(13)18)14-6-10(17)11(7)8/h2-6,15H,1H3,(H3,13,16,18)/b9-5+