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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: (2R)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: (2R)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: (2R)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-15(20(27)23-13-11-16-6-3-2-4-7-16)28-21-25-24-19(26(21)18-9-10-18)17-8-5-12-22-14-17/h2-8,12,14-15,18H,9-11,13H2,1H3,(H,23,27)/t15-/m1/s1