2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-16(7-8-17-5-3-2-4-6-17)24-20(28)15-29-22-26-25-21(27(22)19-9-10-19)18-11-13-23-14-12-18/h2-6,11-14,16,19H,7-10,15H2,1H3,(H,24,28)/t16-/m1/s1