(2-propylphenyl) [1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylmethanoate

Systemtic Name: (2-propylphenyl) [1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylmethanoate Openeye Name: (2-propylphenyl) [1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylformate CAS Name: [[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl]thio]formic acid (2-propylphenyl) ester IUPAC Name: (2-propylphenyl) [1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylformate Traditional Name: [[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]thio]formic acid (2-propylphenyl) ester Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OC(=O)SC(CN2C=CN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=CC=CC=C1OC(=O)SC(CN2C=CN=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-2-5-16-6-3-4-7-19(16)26-21(25)27-20(14-24-13-12-23-15-24)17-8-10-18(22)11-9-17/h3-4,6-13,15,20H,2,5,14H2,1H3