4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C32H37N5O4S MolecularWeight: 587.73228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)CNC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)CNC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H37N5O4S/c1-20-8-9-21(2)25(16-20)34-29(38)19-42-31-36-35-28(37(31)26-17-24(40-6)14-15-27(26)41-7)18-33-30(39)22-10-12-23(13-11-22)32(3,4)5/h8-17H,18-19H2,1-7H3,(H,33,39)(H,34,38)