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

Systemtic Name: (2S)-N-ethyl-N-phenyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-N-phenyl-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-ethyl-N-phenyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[[4-allyl-5-(3-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(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-4-14-26-19(17-10-9-13-22-15-17)23-24-21(26)28-16(3)20(27)25(5-2)18-11-7-6-8-12-18/h4,6-13,15-16H,1,5,14H2,2-3H3/t16-/m0/s1