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

Systemtic Name: 3-[3-(4-ethylphenoxy)propylsulfanyl]-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzenesulfonylmethyl)-5-[3-(4-ethylphenoxy)propylsulfanyl]-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[3-(4-ethylphenoxy)propylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[3-(4-ethylphenoxy)propylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(besylmethyl)-5-[3-(4-ethylphenoxy)propylthio]-1,2,4-triazole Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S2/c1-3-15-26-22(18-31(27,28)21-9-6-5-7-10-21)24-25-23(26)30-17-8-16-29-20-13-11-19(4-2)12-14-20/h3,5-7,9-14H,1,4,8,15-18H2,2H3