2-[[4-azanyl-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenyl-acetamide Formula: C17H21N7OS MolecularWeight: 371.45994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)N3C(=CC(=N3)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)N3C(=CC(=N3)C)C

InChI

InChI=1S/C17H21N7OS/c1-4-22(14-8-6-5-7-9-14)15(25)11-26-17-20-19-16(23(17)18)24-13(3)10-12(2)21-24/h5-10H,4,11,18H2,1-3H3