(4-isothiocyanatophenyl) 6-butylsulfanylnaphthalene-2-carboxylate

Systemtic Name: (4-isothiocyanatophenyl) 6-butylsulfanylnaphthalene-2-carboxylate Openeye Name: (4-isothiocyanatophenyl) 6-butylsulfanylnaphthalene-2-carboxylate CAS Name: 6-(butylthio)-2-naphthalenecarboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 6-butylsulfanylnaphthalene-2-carboxylate Traditional Name: 6-(butylthio)naphthalene-2-carboxylic acid (4-isothiocyanatophenyl) ester Formula: C22H19NO2S2 MolecularWeight: 393.52176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C22H19NO2S2/c1-2-3-12-27-21-11-6-16-13-18(5-4-17(16)14-21)22(24)25-20-9-7-19(8-10-20)23-15-26/h4-11,13-14H,2-3,12H2,1H3