2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)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-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H21ClN6O3S MolecularWeight: 496.96924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN6O3S/c1-13-4-3-5-17(8-13)30-19(10-16-11-20(31)27-22(33)26-16)28-29-23(30)34-12-21(32)25-15-7-6-14(2)18(24)9-15/h3-9,11H,10,12H2,1-2H3,(H,25,32)(H2,26,27,31,33)