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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromobenzyl)thio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C17H17BrN4O2S MolecularWeight: 421.31148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C17H17BrN4O2S/c1-23-14-7-6-12(9-15(14)24-2)16-20-21-17(22(16)19)25-10-11-4-3-5-13(18)8-11/h3-9H,10,19H2,1-2H3