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

Systemtic Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-propan-2-yl-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-isopropyl-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-isopropyl-3-nitro-benzamide Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O3S/c1-10(2)18-16(20)11-3-8-15(14(9-11)19(21)22)23-13-6-4-12(17)5-7-13/h3-10H,1-2H3,(H,18,20)