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

Systemtic Name: N-(3-ethanoylphenyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C26H23N5O2S/c1-3-16-31-24(20-12-14-27-15-13-20)29-30-26(31)34-23(19-8-5-4-6-9-19)25(33)28-22-11-7-10-21(17-22)18(2)32/h3-15,17,23H,1,16H2,2H3,(H,28,33)