4-[[(2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]amino]benzamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O2S/c1-3-12-26-18(15-8-10-22-11-9-15)24-25-20(26)29-13(2)19(28)23-16-6-4-14(5-7-16)17(21)27/h3-11,13H,1,12H2,2H3,(H2,21,27)(H,23,28)/t13-/m1/s1