sodium 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylbenzoate

Systemtic Name: sodium 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylbenzoate Openeye Name: sodium 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylbenzoate CAS Name: sodium 4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]benzoate IUPAC Name: sodium 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylbenzoate Traditional Name: sodium 4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]benzoate Formula: C20H18ClN2NaO2S MolecularWeight: 408.87689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C20H19ClN2O2S.Na/c21-17-6-1-15(2-7-17)3-8-19(13-23-12-11-22-14-23)26-18-9-4-16(5-10-18)20(24)25;/h1-2,4-7,9-12,14,19H,3,8,13H2,(H,24,25);/q;+1/p-1