(2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-phenyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c1-3-25(17-7-5-4-6-8-17)20(27)15(2)28-21-24-23-19(26(21)18-9-10-18)16-11-13-22-14-12-16/h4-8,11-15,18H,3,9-10H2,1-2H3/t15-/m0/s1