N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H23N7OS MolecularWeight: 433.52932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C

InChI

InChI=1S/C22H23N7OS/c1-4-28-16(3)20(15(2)27-28)24-19(30)14-31-22-26-25-21(17-9-8-12-23-13-17)29(22)18-10-6-5-7-11-18/h5-13H,4,14H2,1-3H3,(H,24,30)