3-imidazol-1-yl-1-(4-nitrophenyl)sulfanyl-propan-1-ol

Systemtic Name: 3-imidazol-1-yl-1-(4-nitrophenyl)sulfanyl-propan-1-ol Openeye Name: 3-imidazol-1-yl-1-(4-nitrophenyl)sulfanyl-propan-1-ol CAS Name: 3-(1-imidazolyl)-1-[(4-nitrophenyl)thio]-1-propanol IUPAC Name: 3-imidazol-1-yl-1-(4-nitrophenyl)sulfanylpropan-1-ol Traditional Name: 3-imidazol-1-yl-1-[(4-nitrophenyl)thio]propan-1-ol Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC(CCN2C=CN=C2)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC(CCN2C=CN=C2)O

InChI

InChI=1S/C12H13N3O3S/c16-12(5-7-14-8-6-13-9-14)19-11-3-1-10(2-4-11)15(17)18/h1-4,6,8-9,12,16H,5,7H2