N-(4-bromanyl-3-methyl-phenyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C18H17BrN4OS/c1-11-4-3-5-13(8-11)17-21-22-18(25)23(17)10-16(24)20-14-6-7-15(19)12(2)9-14/h3-9H,10H2,1-2H3,(H,20,24)(H,22,25)