4-(4-bromophenyl)sulfanyl-N-butan-2-yl-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-butan-2-yl-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-sec-butyl-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-butan-2-yl-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-butan-2-yl-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-3-nitro-N-sec-butyl-benzamide Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN2O3S/c1-3-11(2)19-17(21)12-4-9-16(15(10-12)20(22)23)24-14-7-5-13(18)6-8-14/h4-11H,3H2,1-2H3,(H,19,21)