N-(2,4-dinitrophenyl)sulfanyl-N'-(4-methoxyphenyl)-N-methyl-benzenecarboximidamide; methoxybenzene

Systemtic Name: N-(2,4-dinitrophenyl)sulfanyl-N'-(4-methoxyphenyl)-N-methyl-benzenecarboximidamide; methoxybenzene Openeye Name: anisole; N-(2,4-dinitrophenyl)sulfanyl-N'-(4-methoxyphenyl)-N-methyl-benzamidine CAS Name: N-[(2,4-dinitrophenyl)thio]-N'-(4-methoxyphenyl)-N-methylbenzenecarboximidamide; methoxybenzene IUPAC Name: anisole; N-(2,4-dinitrophenyl)sulfanyl-N'-(4-methoxyphenyl)-N-methylbenzenecarboximidamide Traditional Name: anisole; N-[(2,4-dinitrophenyl)thio]-N'-(4-methoxyphenyl)-N-methyl-benzamidine Formula: C28H26N4O6S MolecularWeight: 546.59424

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=NC1=CC=C(C=C1)OC)C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].COC1=CC=CC=C1

Isomeric SMILES

CN(C(=NC1=CC=C(C=C1)OC)C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].COC1=CC=CC=C1

InChI

InChI=1S/C21H18N4O5S.C7H8O/c1-23(31-20-13-10-17(24(26)27)14-19(20)25(28)29)21(15-6-4-3-5-7-15)22-16-8-11-18(30-2)12-9-16;1-8-7-5-3-2-4-6-7/h3-14H,1-2H3;2-6H,1H3