4-[1-imidazol-1-yl-2-(2-methoxyphenyl)propyl]sulfanylbenzoic acid

Systemtic Name: 4-[1-imidazol-1-yl-2-(2-methoxyphenyl)propyl]sulfanylbenzoic acid Openeye Name: 4-[1-imidazol-1-yl-2-(2-methoxyphenyl)propyl]sulfanylbenzoic acid CAS Name: 4-[[1-(1-imidazolyl)-2-(2-methoxyphenyl)propyl]thio]benzoic acid IUPAC Name: 4-[1-imidazol-1-yl-2-(2-methoxyphenyl)propyl]sulfanylbenzoic acid Traditional Name: 4-[[1-imidazol-1-yl-2-(2-methoxyphenyl)propyl]thio]benzoic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)C(N2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1OC)C(N2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-14(17-5-3-4-6-18(17)25-2)19(22-12-11-21-13-22)26-16-9-7-15(8-10-16)20(23)24/h3-14,19H,1-2H3,(H,23,24)