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

Systemtic Name: 3-[(3-methoxyphenoxy)methyl]-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-methoxyphenoxy)methyl]-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-methoxyphenoxy)methyl]-5-[2-(4-propoxyphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-methoxyphenoxy)methyl]-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-methoxyphenoxy)methyl]-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)COC3=CC=CC(=C3)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSC2=NN=C(N2N)COC3=CC=CC(=C3)OC

InChI

InChI=1S/C21H26N4O4S/c1-3-11-27-16-7-9-17(10-8-16)28-12-13-30-21-24-23-20(25(21)22)15-29-19-6-4-5-18(14-19)26-2/h4-10,14H,3,11-13,15,22H2,1-2H3