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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S)-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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-16(9-10-17-6-3-2-4-7-17)24-20(28)15-29-22-26-25-21(27(22)19-11-12-19)18-8-5-13-23-14-18/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,24,28)/t16-/m0/s1