2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-yl-propan-2-ol; ethanedioic acid

Systemtic Name: 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-yl-propan-2-ol; ethanedioic acid Openeye Name: 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-yl-propan-2-ol; oxalic acid CAS Name: 2-(2-chlorophenyl)-1-(heptylthio)-3-(1-imidazolyl)-2-propanol; oxalic acid IUPAC Name: 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol; oxalic acid Traditional Name: 2-(2-chlorophenyl)-1-(heptylthio)-3-imidazol-1-yl-propan-2-ol; oxalic acid Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(CN1C=CN=C1)(C2=CC=CC=C2Cl)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCSCC(CN1C=CN=C1)(C2=CC=CC=C2Cl)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27ClN2OS.C2H2O4/c1-2-3-4-5-8-13-24-15-19(23,14-22-12-11-21-16-22)17-9-6-7-10-18(17)20;3-1(4)2(5)6/h6-7,9-12,16,23H,2-5,8,13-15H2,1H3;(H,3,4)(H,5,6)