4-ethyl-3-[3-(4-ethylphenoxy)propylsulfanyl]-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[3-(4-ethylphenoxy)propylsulfanyl]-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-4-ethyl-5-[3-(4-ethylphenoxy)propylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-4-ethyl-5-[3-(4-ethylphenoxy)propylthio]-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-4-ethyl-5-[3-(4-ethylphenoxy)propylsulfanyl]-1,2,4-triazole Traditional Name: 3-(besylmethyl)-4-ethyl-5-[3-(4-ethylphenoxy)propylthio]-1,2,4-triazole Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCSC2=NN=C(N2CC)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCSC2=NN=C(N2CC)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c1-3-18-11-13-19(14-12-18)28-15-8-16-29-22-24-23-21(25(22)4-2)17-30(26,27)20-9-6-5-7-10-20/h5-7,9-14H,3-4,8,15-17H2,1-2H3