3-(2,4-dimethoxyphenyl)-5-[3-(3-methylphenoxy)propylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2,4-dimethoxyphenyl)-5-[3-(3-methylphenoxy)propylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2,4-dimethoxyphenyl)-5-[3-(3-methylphenoxy)propylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2,4-dimethoxyphenyl)-5-[3-(3-methylphenoxy)propylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2,4-dimethoxyphenyl)-5-[3-(3-methylphenoxy)propylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2,4-dimethoxyphenyl)-5-[3-(3-methylphenoxy)propylthio]-1,2,4-triazol-4-yl]amine Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-14-6-4-7-16(12-14)27-10-5-11-28-20-23-22-19(24(20)21)17-9-8-15(25-2)13-18(17)26-3/h4,6-9,12-13H,5,10-11,21H2,1-3H3