3-butylsulfanyl-5-phenylazanyl-benzoic acid

Systemtic Name: 3-butylsulfanyl-5-phenylazanyl-benzoic acid Openeye Name: 3-anilino-5-butylsulfanyl-benzoic acid CAS Name: 3-anilino-5-(butylthio)benzoic acid IUPAC Name: 3-anilino-5-butylsulfanylbenzoic acid Traditional Name: 3-anilino-5-(butylthio)benzoic acid Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CC(=C1)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCSC1=CC(=CC(=C1)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H19NO2S/c1-2-3-9-21-16-11-13(17(19)20)10-15(12-16)18-14-7-5-4-6-8-14/h4-8,10-12,18H,2-3,9H2,1H3,(H,19,20)