3-[(3-bromanylphenoxy)methyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenoxy)methyl]-5-[(E)-cinnamyl]sulfanyl-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenoxy)methyl]-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenoxy)methyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromophenoxy)methyl]-5-[[(E)-cinnamyl]thio]-1,2,4-triazol-4-yl]amine Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN4OS/c19-15-9-4-10-16(12-15)24-13-17-21-22-18(23(17)20)25-11-5-8-14-6-2-1-3-7-14/h1-10,12H,11,13,20H2/b8-5+