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

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-methyl-propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-4-12-23-16(15-9-6-5-7-10-15)20-21-18(23)25-14(2)17(24)22(3)13-8-11-19/h4-7,9-10,14H,1,8,12-13H2,2-3H3/t14-/m1/s1