3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(phenylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-5-[(phenylthio)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(3,5-dimethylphenoxy)ethylthio]-5-[(phenylthio)methyl]-1,2,4-triazole Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2CC=C)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2CC=C)CSC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3OS2/c1-4-10-25-21(16-28-20-8-6-5-7-9-20)23-24-22(25)27-12-11-26-19-14-17(2)13-18(3)15-19/h4-9,13-15H,1,10-12,16H2,2-3H3