N-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N5O3S/c1-23(2,3)25-20(29)15-32-22-27-26-19(28(22)17-8-6-5-7-9-17)14-24-21(30)16-10-12-18(31-4)13-11-16/h5-13H,14-15H2,1-4H3,(H,24,30)(H,25,29)