2-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)ethanone Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC(=O)C3=CC=C(C=C3)Br

InChI

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