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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC

InChI

InChI=1S/C19H19BrN4O2S/c1-13-10-14(20)8-9-16(13)21-18(25)12-27-19-23-22-17(11-26-2)24(19)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,25)