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

Systemtic Name: 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-yl-propan-2-ol; ethanedioate Openeye Name: 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-yl-propan-2-ol; oxalate CAS Name: 2-(2-chlorophenyl)-1-(heptylthio)-3-(1-imidazolyl)-2-propanol; oxalate IUPAC Name: 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol; oxalate Traditional Name: 2-(2-chlorophenyl)-1-(heptylthio)-3-imidazol-1-yl-propan-2-ol; oxalate Formula: C21H27ClN2O5S-2 MolecularWeight: 454.96748

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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)/p-2