2-[2-[[4-(4-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[2-[[4-(4-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol; ethanedioic acid Openeye Name: 2-[2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol; oxalic acid CAS Name: 2-[2-[[4-(4-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethylamino]ethanol; oxalic acid IUPAC Name: 2-[2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol; oxalic acid Traditional Name: 2-[2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]ethylamino]ethanol; oxalic acid Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21ClN4OS.C2H2O4/c20-16-6-8-17(9-7-16)24-18(14-15-4-2-1-3-5-15)22-23-19(24)26-13-11-21-10-12-25;3-1(4)2(5)6/h1-9,21,25H,10-14H2;(H,3,4)(H,5,6)