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

Systemtic Name: (2S)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C18H21ClN6O2S MolecularWeight: 420.91634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O2S/c1-10(2)25-15(7-8-20-25)21-17(26)11(3)28-18-22-16(23-24-18)13-9-12(19)5-6-14(13)27-4/h5-11H,1-4H3,(H,21,26)(H,22,23,24)/t11-/m0/s1