2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(isopropylcarbamoyl)acetamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC(C)C)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H24N6O2S/c1-4-15-5-7-17(8-6-15)27-19(16-9-11-22-12-10-16)25-26-21(27)30-13-18(28)24-20(29)23-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,23,24,28,29)