2-phenylsulfanyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-phenylsulfanyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-phenylsulfanyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-(phenylthio)-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-phenylsulfanyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(phenylthio)-3-pyrrolidino-1,4-naphthoquinone Formula: C20H17NO2S MolecularWeight: 335.41948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4

InChI

InChI=1S/C20H17NO2S/c22-18-15-10-4-5-11-16(15)19(23)20(17(18)21-12-6-7-13-21)24-14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2