4-bromanyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide

Systemtic Name: 4-bromanyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-bromo-benzamide CAS Name: 4-bromo-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-bromobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-4-bromo-benzamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4OS/c1-12-19-20-17(24-11-13-5-3-2-4-6-13)22(12)21-16(23)14-7-9-15(18)10-8-14/h2-10H,11H2,1H3,(H,21,23)