3-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromobenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C18H19BrN4O3S MolecularWeight: 451.33746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H19BrN4O3S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17-21-22-18(23(17)20)27-10-11-5-4-6-13(19)7-11/h4-9H,10,20H2,1-3H3