1-ethylsulfonyl-3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 1-ethylsulfonyl-3-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 5-benzylsulfanyl-1-ethylsulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 1-ethylsulfonyl-3-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-1-ethylsulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 5-(benzylthio)-1-esyl-3-(4-methoxyphenyl)-1,2,4-triazole Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S2/c1-3-26(22,23)21-18(25-13-14-7-5-4-6-8-14)19-17(20-21)15-9-11-16(24-2)12-10-15/h4-12H,3,13H2,1-2H3