3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]amine Formula: C17H19BrN4O2S2 MolecularWeight: 455.39236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CS3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CS3)Br)OCC

InChI

InChI=1S/C17H19BrN4O2S2/c1-3-23-13-8-11(12(18)9-14(13)24-4-2)10-26-17-21-20-16(22(17)19)15-6-5-7-25-15/h5-9H,3-4,10,19H2,1-2H3