(2R)-N-(2-ethanoylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(2-ethanoylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-acetylphenyl)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(2-acetylphenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(2-acetylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-acetylphenyl)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-4-12-26-19(16-8-7-11-22-13-16)24-25-21(26)29-15(3)20(28)23-18-10-6-5-9-17(18)14(2)27/h4-11,13,15H,1,12H2,2-3H3,(H,23,28)/t15-/m1/s1