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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C=CC=C2C(=CNNC(=S)N)N=C1

Isomeric SMILES

CC1=C2C(=O)C=CC=C2/C(=C\NNC(=S)N)/N=C1

InChI

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