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

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-3-methyl-butanamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-methyl-butanamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-3-methylbutanamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-methylbutanamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]-3-methyl-butyramide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1SC2=NC(=NN2CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1SC2=NC(=NN2CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H21BrN4OS/c1-14(2)12-18(26)22-16-10-6-7-11-17(16)27-20-23-19(21)24-25(20)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)