2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H19BrN6O3S MolecularWeight: 527.39366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C22H19BrN6O3S/c1-13-3-2-4-17(9-13)29-18(10-16-11-19(30)26-21(32)25-16)27-28-22(29)33-12-20(31)24-15-7-5-14(23)6-8-15/h2-9,11H,10,12H2,1H3,(H,24,31)(H2,25,26,30,32)