(2R)-N-prop-2-enyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-prop-2-enyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-allyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-prop-2-enyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-prop-2-enyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-allyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5OS/c1-3-6-15-12(19)9(2)20-13-16-11(17-18-13)10-4-7-14-8-5-10/h3-5,7-9H,1,6H2,2H3,(H,15,19)(H,16,17,18)/t9-/m1/s1