N-(4-methylcyclohexyl)sulfanyl-2,4-dinitro-aniline

Systemtic Name: N-(4-methylcyclohexyl)sulfanyl-2,4-dinitro-aniline Openeye Name: N-(4-methylcyclohexyl)sulfanyl-2,4-dinitro-aniline CAS Name: N-(2,4-dinitrophenyl)-4-methyl-1-cyclohexanesulfenamide IUPAC Name: N-(4-methylcyclohexyl)sulfanyl-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(4-methylcyclohexyl)thio]amine Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)SNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)SNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-9-2-5-11(6-3-9)21-14-12-7-4-10(15(17)18)8-13(12)16(19)20/h4,7-9,11,14H,2-3,5-6H2,1H3