[4-[methyl(thiolan-3-yl)amino]-3-nitro-phenyl]methanol

Systemtic Name: [4-[methyl(thiolan-3-yl)amino]-3-nitro-phenyl]methanol Openeye Name: [4-[methyl(tetrahydrothiophen-3-yl)amino]-3-nitro-phenyl]methanol CAS Name: [4-[methyl(3-thiolanyl)amino]-3-nitrophenyl]methanol IUPAC Name: [4-[methyl(thiolan-3-yl)amino]-3-nitrophenyl]methanol Traditional Name: [4-[methyl(tetrahydrothiophen-3-yl)amino]-3-nitro-phenyl]methanol Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=C(C=C(C=C2)CO)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCSC1)C2=C(C=C(C=C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-13(10-4-5-18-8-10)11-3-2-9(7-15)6-12(11)14(16)17/h2-3,6,10,15H,4-5,7-8H2,1H3