2-chloranyl-3-(phenylmethylsulfanyl)naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-(phenylmethylsulfanyl)naphthalene-1,4-dione Openeye Name: 2-benzylsulfanyl-3-chloro-naphthalene-1,4-dione CAS Name: 2-chloro-3-(phenylmethylthio)naphthalene-1,4-dione IUPAC Name: 2-benzylsulfanyl-3-chloronaphthalene-1,4-dione Traditional Name: 2-(benzylthio)-3-chloro-1,4-naphthoquinone Formula: C17H11ClO2S MolecularWeight: 314.78604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C17H11ClO2S/c18-14-15(19)12-8-4-5-9-13(12)16(20)17(14)21-10-11-6-2-1-3-7-11/h1-9H,10H2