3-(3,4-dimethoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N4O4S/c1-4-11-28-16-6-8-17(9-7-16)29-12-13-30-21-24-23-20(25(21)22)15-5-10-18(26-2)19(14-15)27-3/h5-10,14H,4,11-13,22H2,1-3H3