N-[(2S)-2-phenylpropyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NN=C(N1CC=C)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NN=C(N1CC=C)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-3-12-26-20(18-10-7-11-22-14-18)24-25-21(26)28-15-19(27)23-13-16(2)17-8-5-4-6-9-17/h3-11,14,16H,1,12-13,15H2,2H3,(H,23,27)/t16-/m1/s1