N-butyl-4-(2-hydroxyphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-butyl-4-(2-hydroxyphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-butyl-4-(2-hydroxyphenyl)sulfanyl-3-nitro-benzamide CAS Name: N-butyl-4-[(2-hydroxyphenyl)thio]-3-nitrobenzamide IUPAC Name: N-butyl-4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-butyl-4-[(2-hydroxyphenyl)thio]-3-nitro-benzamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4S/c1-2-3-10-18-17(21)12-8-9-15(13(11-12)19(22)23)24-16-7-5-4-6-14(16)20/h4-9,11,20H,2-3,10H2,1H3,(H,18,21)