2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]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-[(2-chlorophenyl)methyl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-chlorobenzyl)-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)NCC3=CC=CC=C3Cl)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3Cl)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C23H21ClN6O3S/c1-14-5-4-7-17(9-14)30-19(10-16-11-20(31)27-22(33)26-16)28-29-23(30)34-13-21(32)25-12-15-6-2-3-8-18(15)24/h2-9,11H,10,12-13H2,1H3,(H,25,32)(H2,26,27,31,33)