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

Systemtic Name: (2R)-N-cycloheptyl-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-cycloheptyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-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-cycloheptyl-propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-3-15-25-19(17-11-7-6-8-12-17)23-24-21(25)27-16(2)20(26)22-18-13-9-4-5-10-14-18/h3,6-8,11-12,16,18H,1,4-5,9-10,13-15H2,2H3,(H,22,26)/t16-/m1/s1