(2S)-2-[(4-methyl-5-phenyl-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-phenyl-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-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-2-[(4-methyl-5-phenyl-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-phenyl-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-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H23N6OS+ MolecularWeight: 371.47982

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6OS/c1-12(2)24-15(10-11-19-24)20-17(25)13(3)26-18-22-21-16(23(18)4)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,19,20,25)/p+1/t13-/m0/s1