(2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N6OS/c1-11(2)23-14(9-10-18-23)19-16(24)12(3)25-17-20-15(21-22-17)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,24)(H,20,21,22)/t12-/m0/s1