2-[[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)acetamide CAS Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-o-cumenyl-acetamide Formula: C17H21N7OS MolecularWeight: 371.45994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3C(C)C

InChI

InChI=1S/C17H21N7OS/c1-10(2)12-6-4-5-7-13(12)19-15(25)9-26-17-23-22-16(24(17)18)14-8-11(3)20-21-14/h4-8,10H,9,18H2,1-3H3,(H,19,25)(H,20,21)