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

Systemtic Name: (2S)-N-(propan-2-ylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(isopropylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(propan-2-ylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(isopropylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C14H18N6O2S/c1-8(2)16-13(22)18-12(21)9(3)23-14-17-11(19-20-14)10-4-6-15-7-5-10/h4-9H,1-3H3,(H,17,19,20)(H2,16,18,21,22)/t9-/m0/s1