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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromo-4-methoxy-benzyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C14H13BrN4O2S MolecularWeight: 381.24762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC=CO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC=CO3)Br

InChI

InChI=1S/C14H13BrN4O2S/c1-20-11-5-4-9(7-10(11)15)8-22-14-18-17-13(19(14)16)12-3-2-6-21-12/h2-7H,8,16H2,1H3