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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H28N4OS/c1-15(20(26)22-17-9-5-2-3-6-10-17)27-21-24-23-19(16-13-14-16)25(21)18-11-7-4-8-12-18/h4,7-8,11-12,15-17H,2-3,5-6,9-10,13-14H2,1H3,(H,22,26)/t15-/m1/s1