3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[2-(4-chlorophenyl)sulfonylethylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C21H18ClN3O2S3 MolecularWeight: 476.03452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H18ClN3O2S3/c22-17-8-10-18(11-9-17)30(26,27)14-13-29-21-24-23-20(19-7-4-12-28-19)25(21)15-16-5-2-1-3-6-16/h1-12H,13-15H2