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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-12-9-13(7-8-14(12)19)21-17(24)10-26-18-22-20-11-23(18)15-5-3-4-6-16(15)25-2/h3-9,11H,10H2,1-2H3,(H,21,24)