4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylaniline; ethanedioic acid

Systemtic Name: 4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylaniline; ethanedioic acid Openeye Name: 4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylaniline; oxalic acid CAS Name: 4-[[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl]thio]aniline; oxalic acid IUPAC Name: 4-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylaniline; oxalic acid Traditional Name: [4-[[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]amine; oxalic acid Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CN2C=CN=C2)SC3=CC=C(C=C3)N)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(CN2C=CN=C2)SC3=CC=C(C=C3)N)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H16ClN3S.C2H2O4/c18-14-3-1-13(2-4-14)17(11-21-10-9-20-12-21)22-16-7-5-15(19)6-8-16;3-1(4)2(5)6/h1-10,12,17H,11,19H2;(H,3,4)(H,5,6)