3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[3-(3,5-dimethylphenoxy)propylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NN=C(N2N)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NN=C(N2N)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H24N4O2S/c1-14-11-15(2)13-18(12-14)26-9-4-10-27-20-23-22-19(24(20)21)16-5-7-17(25-3)8-6-16/h5-8,11-13H,4,9-10,21H2,1-3H3