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

Systemtic Name: 4-bromanyl-N-(2,4-dinitrophenyl)sulfanyl-N,N'-bis(4-methylphenyl)benzenecarboximidamide Openeye Name: 4-bromo-N-(2,4-dinitrophenyl)sulfanyl-N,N'-bis(p-tolyl)benzamidine CAS Name: 4-bromo-N-[(2,4-dinitrophenyl)thio]-N,N'-bis(4-methylphenyl)benzenecarboximidamide IUPAC Name: 4-bromo-N-(2,4-dinitrophenyl)sulfanyl-N,N'-bis(4-methylphenyl)benzenecarboximidamide Traditional Name: 4-bromo-N-[(2,4-dinitrophenyl)thio]-N,N'-bis(p-tolyl)benzamidine Formula: C27H21BrN4O4S MolecularWeight: 577.44904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21BrN4O4S/c1-18-3-11-22(12-4-18)29-27(20-7-9-21(28)10-8-20)30(23-13-5-19(2)6-14-23)37-26-16-15-24(31(33)34)17-25(26)32(35)36/h3-17H,1-2H3