2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-phenyl-5-(4-propylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-phenyl-5-(4-propylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-phenyl-5-(4-propylphenyl)pyrazol-3-yl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[2-phenyl-5-(4-propylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-phenyl-5-(4-propylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[2-phenyl-5-(4-propylphenyl)pyrazol-3-yl]acetamide Formula: C22H23N7OS MolecularWeight: 433.52932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NNC(=N3)N)C4=CC=CC=C4

InChI

InChI=1S/C22H23N7OS/c1-2-6-15-9-11-16(12-10-15)18-13-19(29(28-18)17-7-4-3-5-8-17)24-20(30)14-31-22-25-21(23)26-27-22/h3-5,7-13H,2,6,14H2,1H3,(H,24,30)(H3,23,25,26,27)