methyl 4-(1,3-benzoxazol-2-ylsulfanyl)phthalazine-1-carboxylate

Systemtic Name: methyl 4-(1,3-benzoxazol-2-ylsulfanyl)phthalazine-1-carboxylate Openeye Name: methyl 4-(1,3-benzoxazol-2-ylsulfanyl)phthalazine-1-carboxylate CAS Name: 4-(1,3-benzoxazol-2-ylthio)-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzoxazol-2-ylsulfanyl)phthalazine-1-carboxylate Traditional Name: 4-(1,3-benzoxazol-2-ylthio)phthalazine-1-carboxylic acid methyl ester Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN=C(C2=CC=CC=C21)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=NN=C(C2=CC=CC=C21)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H11N3O3S/c1-22-16(21)14-10-6-2-3-7-11(10)15(20-19-14)24-17-18-12-8-4-5-9-13(12)23-17/h2-9H,1H3