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

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methyl-propionamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NN=C(N1CC=C)C2=CN=CC=C2

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NN=C(N1CC=C)C2=CN=CC=C2

InChI

InChI=1S/C17H20N6OS/c1-4-10-23-15(14-7-5-9-19-12-14)20-21-17(23)25-13(2)16(24)22(3)11-6-8-18/h4-5,7,9,12-13H,1,6,10-11H2,2-3H3/t13-/m1/s1