[2-methylsulfanyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methanol

Systemtic Name: [2-methylsulfanyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methanol Openeye Name: [2-methylsulfanyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methanol CAS Name: [2-(methylthio)-3-[(4-nitrophenyl)methyl]-4-imidazolyl]methanol IUPAC Name: [2-methylsulfanyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]methanol Traditional Name: [2-(methylthio)-3-(4-nitrobenzyl)imidazol-4-yl]methanol Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

CSC1=NC=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C12H13N3O3S/c1-19-12-13-6-11(8-16)14(12)7-9-2-4-10(5-3-9)15(17)18/h2-6,16H,7-8H2,1H3