2-bromanyl-N,N'-bis(4-methylphenyl)-N-(2-nitrophenyl)sulfanyl-benzenecarboximidamide

Systemtic Name: 2-bromanyl-N,N'-bis(4-methylphenyl)-N-(2-nitrophenyl)sulfanyl-benzenecarboximidamide Openeye Name: 2-bromo-N-(2-nitrophenyl)sulfanyl-N,N'-bis(p-tolyl)benzamidine CAS Name: 2-bromo-N,N'-bis(4-methylphenyl)-N-[(2-nitrophenyl)thio]benzenecarboximidamide IUPAC Name: 2-bromo-N,N'-bis(4-methylphenyl)-N-(2-nitrophenyl)sulfanylbenzenecarboximidamide Traditional Name: 2-bromo-N-[(2-nitrophenyl)thio]-N,N'-bis(p-tolyl)benzamidine Formula: C27H22BrN3O2S MolecularWeight: 532.45148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C2=CC=CC=C2Br)N(C3=CC=C(C=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N=C(C2=CC=CC=C2Br)N(C3=CC=C(C=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H22BrN3O2S/c1-19-11-15-21(16-12-19)29-27(23-7-3-4-8-24(23)28)30(22-17-13-20(2)14-18-22)34-26-10-6-5-9-25(26)31(32)33/h3-18H,1-2H3