2-(1H-imidazol-2-ylsulfanylmethyl)-N-(2-methylpropyl)-4-nitro-aniline

Systemtic Name: 2-(1H-imidazol-2-ylsulfanylmethyl)-N-(2-methylpropyl)-4-nitro-aniline Openeye Name: 2-(1H-imidazol-2-ylsulfanylmethyl)-N-isobutyl-4-nitro-aniline CAS Name: 2-[(1H-imidazol-2-ylthio)methyl]-N-(2-methylpropyl)-4-nitroaniline IUPAC Name: 2-(1H-imidazol-2-ylsulfanylmethyl)-N-(2-methylpropyl)-4-nitroaniline Traditional Name: [2-[(1H-imidazol-2-ylthio)methyl]-4-nitro-phenyl]-isobutyl-amine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=CN2

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=CN2

InChI

InChI=1S/C14H18N4O2S/c1-10(2)8-17-13-4-3-12(18(19)20)7-11(13)9-21-14-15-5-6-16-14/h3-7,10,17H,8-9H2,1-2H3,(H,15,16)