N-aminocarbonyl-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(=O)N)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(=O)N)C3=CN=CC=C3)C

InChI

InChI=1S/C19H20N6O2S/c1-11-6-7-15(12(2)9-11)25-16(14-5-4-8-21-10-14)23-24-19(25)28-13(3)17(26)22-18(20)27/h4-10,13H,1-3H3,(H3,20,22,26,27)