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

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[[4-allyl-5-(4-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=C(C=C1)C(=O)C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

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