2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrazol-1-ylpropyl)ethanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrazol-1-ylpropyl)acetamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-[3-(1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrazol-1-ylpropyl)acetamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(3-pyrazol-1-ylpropyl)acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCCN4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCCN4C=CC=N4

InChI

InChI=1S/C22H22N6OS/c29-20(23-13-7-15-27-16-8-14-24-27)17-30-22-26-25-21(18-9-3-1-4-10-18)28(22)19-11-5-2-6-12-19/h1-6,8-12,14,16H,7,13,15,17H2,(H,23,29)