3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[2-(4-tert-butylphenoxy)ethylthio]-4-phenyl-1,2,4-triazole Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3S2/c1-27(2,3)21-14-16-23(17-15-21)33-18-19-34-26-29-28-25(30(26)22-10-6-4-7-11-22)20-35(31,32)24-12-8-5-9-13-24/h4-17H,18-20H2,1-3H3