N-aminocarbonyl-3-methyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-carbamoyl-3-methyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-carbamoyl-3-methyl-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-carbamoyl-3-methyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C(C)C)C(=O)NC(=O)N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C(C)C)C(=O)NC(=O)N)C3=CN=CC=C3

InChI

InChI=1S/C20H22N6O2S/c1-12(2)16(18(27)23-19(21)28)29-20-25-24-17(14-8-6-10-22-11-14)26(20)15-9-5-4-7-13(15)3/h4-12,16H,1-3H3,(H3,21,23,27,28)