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

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CO3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CO3)Br)OCC

InChI

InChI=1S/C17H19BrN4O3S/c1-3-23-14-8-11(12(18)9-15(14)24-4-2)10-26-17-21-20-16(22(17)19)13-6-5-7-25-13/h5-9H,3-4,10,19H2,1-2H3