1-methyl-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-methyl-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea Openeye Name: 1-methyl-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea CAS Name: 1-methyl-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea IUPAC Name: 1-methyl-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(1-ketophthalazin-2-yl)acetyl]amino]-3-methyl-thiourea Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)CN1C(=O)C2=CC=CC=C2C=N1

Isomeric SMILES

CNC(=S)NNC(=O)CN1C(=O)C2=CC=CC=C2C=N1

InChI

InChI=1S/C12H13N5O2S/c1-13-12(20)16-15-10(18)7-17-11(19)9-5-3-2-4-8(9)6-14-17/h2-6H,7H2,1H3,(H,15,18)(H2,13,16,20)