(2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide

Systemtic Name: (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Openeye Name: (2S)-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide IUPAC Name: (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Traditional Name: (2S)-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H22N7OS+ MolecularWeight: 372.46788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=[N+](NC=C1)C(C)C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C17H21N7OS/c1-11(2)24-14(7-10-19-24)20-16(25)12(3)26-17-22-21-15(23(17)4)13-5-8-18-9-6-13/h5-12H,1-4H3,(H,19,20,25)/p+1/t12-/m0/s1