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

Systemtic Name: N-(2,4-dinitrophenyl)sulfanyl-N,N'-bis(4-methylphenyl)-4-nitro-benzenecarboximidamide Openeye Name: N-(2,4-dinitrophenyl)sulfanyl-4-nitro-N,N'-bis(p-tolyl)benzamidine CAS Name: N-[(2,4-dinitrophenyl)thio]-N,N'-bis(4-methylphenyl)-4-nitrobenzenecarboximidamide IUPAC Name: N-(2,4-dinitrophenyl)sulfanyl-N,N'-bis(4-methylphenyl)-4-nitrobenzenecarboximidamide Traditional Name: N-[(2,4-dinitrophenyl)thio]-4-nitro-N,N'-bis(p-tolyl)benzamidine Formula: C27H21N5O6S MolecularWeight: 543.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21N5O6S/c1-18-3-9-21(10-4-18)28-27(20-7-13-23(14-8-20)30(33)34)29(22-11-5-19(2)6-12-22)39-26-16-15-24(31(35)36)17-25(26)32(37)38/h3-17H,1-2H3