2-morpholin-4-yl-3-(phenylmethylsulfanyl)naphthalene-1,4-dione

Systemtic Name: 2-morpholin-4-yl-3-(phenylmethylsulfanyl)naphthalene-1,4-dione Openeye Name: 2-benzylsulfanyl-3-morpholino-naphthalene-1,4-dione CAS Name: 2-(4-morpholinyl)-3-(phenylmethylthio)naphthalene-1,4-dione IUPAC Name: 2-benzylsulfanyl-3-morpholin-4-ylnaphthalene-1,4-dione Traditional Name: 2-(benzylthio)-3-morpholino-1,4-naphthoquinone Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)SCC4=CC=CC=C4

InChI

InChI=1S/C21H19NO3S/c23-19-16-8-4-5-9-17(16)20(24)21(18(19)22-10-12-25-13-11-22)26-14-15-6-2-1-3-7-15/h1-9H,10-14H2