5-(phenylmethyl)-4-propan-2-yl-1H-imidazole-2-sulfinic acid

Systemtic Name: 5-(phenylmethyl)-4-propan-2-yl-1H-imidazole-2-sulfinic acid Openeye Name: 5-benzyl-4-isopropyl-1H-imidazole-2-sulfinic acid CAS Name: 5-(phenylmethyl)-4-propan-2-yl-1H-imidazole-2-sulfinic acid IUPAC Name: 5-benzyl-4-propan-2-yl-1H-imidazole-2-sulfinic acid Traditional Name: 5-benzyl-4-isopropyl-1H-imidazole-2-sulfinic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=N1)S(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=C(NC(=N1)S(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2S/c1-9(2)12-11(14-13(15-12)18(16)17)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,17)