2-(2-tert-butylsulfanylethylamino)-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-(2-tert-butylsulfanylethylamino)-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-(2-tert-butylsulfanylethylamino)-3-chloro-naphthalene-1,4-dione CAS Name: 2-[2-(tert-butylthio)ethylamino]-3-chloronaphthalene-1,4-dione IUPAC Name: 2-(2-tert-butylsulfanylethylamino)-3-chloronaphthalene-1,4-dione Traditional Name: 2-[2-(tert-butylthio)ethylamino]-3-chloro-1,4-naphthoquinone Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

Isomeric SMILES

CC(C)(C)SCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

InChI

InChI=1S/C16H18ClNO2S/c1-16(2,3)21-9-8-18-13-12(17)14(19)10-6-4-5-7-11(10)15(13)20/h4-7,18H,8-9H2,1-3H3