methyl 2-(3,4-dihydro-1H-phthalazin-2-ylcarbothioylamino)benzoate

Systemtic Name: methyl 2-(3,4-dihydro-1H-phthalazin-2-ylcarbothioylamino)benzoate Openeye Name: methyl 2-(3,4-dihydro-1H-phthalazine-2-carbothioylamino)benzoate CAS Name: 2-[[3,4-dihydro-1H-phthalazin-2-yl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-phthalazine-2-carbothioylamino)benzoate Traditional Name: 2-(3,4-dihydro-1H-phthalazine-2-carbothioylamino)benzoic acid methyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CC3=CC=CC=C3CN2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CC3=CC=CC=C3CN2

InChI

InChI=1S/C17H17N3O2S/c1-22-16(21)14-8-4-5-9-15(14)19-17(23)20-11-13-7-3-2-6-12(13)10-18-20/h2-9,18H,10-11H2,1H3,(H,19,23)