N-(2,4-dinitrophenyl)sulfanyl-4-methoxy-N-methyl-N'-(4-methylphenyl)benzenecarboximidamide; methylbenzene

Systemtic Name: N-(2,4-dinitrophenyl)sulfanyl-4-methoxy-N-methyl-N'-(4-methylphenyl)benzenecarboximidamide; methylbenzene Openeye Name: N-(2,4-dinitrophenyl)sulfanyl-4-methoxy-N-methyl-N'-(p-tolyl)benzamidine; toluene CAS Name: N-[(2,4-dinitrophenyl)thio]-4-methoxy-N-methyl-N'-(4-methylphenyl)benzenecarboximidamide; toluene IUPAC Name: N-(2,4-dinitrophenyl)sulfanyl-4-methoxy-N-methyl-N'-(4-methylphenyl)benzenecarboximidamide; toluene Traditional Name: N-[(2,4-dinitrophenyl)thio]-4-methoxy-N-methyl-N'-(p-tolyl)benzamidine; toluene Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)N=C(C2=CC=C(C=C2)OC)N(C)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)N=C(C2=CC=C(C=C2)OC)N(C)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S.C7H8/c1-15-4-8-17(9-5-15)23-22(16-6-11-19(31-3)12-7-16)24(2)32-21-13-10-18(25(27)28)14-20(21)26(29)30;1-7-5-3-2-4-6-7/h4-14H,1-3H3;2-6H,1H3