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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(3-bromophenoxy)ethylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C18H19BrN4O3S MolecularWeight: 451.33746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCOC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCOC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C18H19BrN4O3S/c1-24-15-7-6-12(10-16(15)25-2)17-21-22-18(23(17)20)27-9-8-26-14-5-3-4-13(19)11-14/h3-7,10-11H,8-9,20H2,1-2H3