ethyl 2-[3-(phenylmethyl)-4-sulfanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(phenylmethyl)-4-sulfanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-(3-benzyl-4-thioxo-phthalazin-1-yl)acetate CAS Name: 2-[3-(phenylmethyl)-4-sulfanylidene-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-4-sulfanylidenephthalazin-1-yl)acetate Traditional Name: 2-(3-benzyl-4-thioxo-phthalazin-1-yl)acetic acid ethyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S/c1-2-23-18(22)12-17-15-10-6-7-11-16(15)19(24)21(20-17)13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3