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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methyl-propionamide Formula: C18H20FN5OS MolecularWeight: 373.447703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN5OS/c1-4-11-24-16(14-6-8-15(19)9-7-14)21-22-18(24)26-13(2)17(25)23(3)12-5-10-20/h4,6-9,13H,1,5,11-12H2,2-3H3/t13-/m1/s1