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

Systemtic Name: (2S)-N-(propan-2-ylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(propan-2-ylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(isopropylcarbamoyl)propionamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C17H22N6O2S/c1-5-10-23-14(13-6-8-18-9-7-13)21-22-17(23)26-12(4)15(24)20-16(25)19-11(2)3/h5-9,11-12H,1,10H2,2-4H3,(H2,19,20,24,25)/t12-/m0/s1