2-[(3-methyl-4-nitro-phenyl)amino]-4-methylsulfanyl-butan-1-ol

Systemtic Name: 2-[(3-methyl-4-nitro-phenyl)amino]-4-methylsulfanyl-butan-1-ol Openeye Name: 2-(3-methyl-4-nitro-anilino)-4-methylsulfanyl-butan-1-ol CAS Name: 2-(3-methyl-4-nitroanilino)-4-(methylthio)-1-butanol IUPAC Name: 2-(3-methyl-4-nitroanilino)-4-methylsulfanylbutan-1-ol Traditional Name: 2-(3-methyl-4-nitro-anilino)-4-(methylthio)butan-1-ol Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(CCSC)CO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(CCSC)CO)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O3S/c1-9-7-10(3-4-12(9)14(16)17)13-11(8-15)5-6-18-2/h3-4,7,11,13,15H,5-6,8H2,1-2H3