N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-4-methoxy-benzamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-methoxy-benzamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-4-methoxybenzamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-methoxybenzamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]-4-methoxy-benzamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC(=NN3CC4=CC=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC(=NN3CC4=CC=CC=C4)Br

InChI

InChI=1S/C23H19BrN4O2S/c1-30-18-13-11-17(12-14-18)21(29)25-19-9-5-6-10-20(19)31-23-26-22(24)27-28(23)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,29)