N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O2S/c1-5-15-28-21(17-11-13-19(14-12-17)24(2,3)4)26-27-23(28)31-16-20(29)25-22(30)18-9-7-6-8-10-18/h5-14H,1,15-16H2,2-4H3,(H,25,29,30)