N-aminocarbonyl-2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-carbamoyl-2-[[4-(2-isopropylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-carbamoyl-2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-carbamoyl-2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-carbamoyl-2-[[4-o-cumenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C(C)C)SCC(=O)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C(C)C)SCC(=O)NC(=O)N

InChI

InChI=1S/C21H23N5O2S/c1-13(2)16-6-4-5-7-17(16)26-19(15-10-8-14(3)9-11-15)24-25-21(26)29-12-18(27)23-20(22)28/h4-11,13H,12H2,1-3H3,(H3,22,23,27,28)