1-(4-methylsulfanyl-3-nitro-phenyl)-2-(propan-2-ylamino)ethanol

Systemtic Name: 1-(4-methylsulfanyl-3-nitro-phenyl)-2-(propan-2-ylamino)ethanol Openeye Name: 2-(isopropylamino)-1-(4-methylsulfanyl-3-nitro-phenyl)ethanol CAS Name: 1-[4-(methylthio)-3-nitrophenyl]-2-(propan-2-ylamino)ethanol IUPAC Name: 1-(4-methylsulfanyl-3-nitrophenyl)-2-(propan-2-ylamino)ethanol Traditional Name: 2-(isopropylamino)-1-[4-(methylthio)-3-nitro-phenyl]ethanol Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C1=CC(=C(C=C1)SC)[N+](=O)[O-])O

Isomeric SMILES

CC(C)NCC(C1=CC(=C(C=C1)SC)[N+](=O)[O-])O

InChI

InChI=1S/C12H18N2O3S/c1-8(2)13-7-11(15)9-4-5-12(18-3)10(6-9)14(16)17/h4-6,8,11,13,15H,7H2,1-3H3