S-phthalazin-1-yl 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-phthalazin-1-yl 3,5-dimethoxybenzenecarbothioate Openeye Name: S-phthalazin-1-yl 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(1-phthalazinyl) ester IUPAC Name: S-phthalazin-1-yl 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-phthalazin-1-yl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S/c1-21-13-7-12(8-14(9-13)22-2)17(20)23-16-15-6-4-3-5-11(15)10-18-19-16/h3-10H,1-2H3