S-phthalazin-1-yl 4-methoxybenzenecarbothioate

Systemtic Name: S-phthalazin-1-yl 4-methoxybenzenecarbothioate Openeye Name: S-phthalazin-1-yl 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-(1-phthalazinyl) ester IUPAC Name: S-phthalazin-1-yl 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-phthalazin-1-yl ester Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SC2=NN=CC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)SC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C16H12N2O2S/c1-20-13-8-6-11(7-9-13)16(19)21-15-14-5-3-2-4-12(14)10-17-18-15/h2-10H,1H3