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

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-phenyl-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-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-N-phenyl-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-phenyl-propionamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C23H23N5OS/c1-3-16-28-21(19-11-6-4-7-12-19)25-26-23(28)30-18(2)22(29)27(17-10-15-24)20-13-8-5-9-14-20/h3-9,11-14,18H,1,10,16-17H2,2H3/t18-/m1/s1