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

Systemtic Name: 4-butoxy-N-[3-[5-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: 4-butoxy-N-[3-[5-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: 4-butoxy-N-[3-[5-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 4-butoxy-N-[3-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: 4-butoxy-N-[3-[5-[[2-(2,5-dimethoxyanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C30H33N5O5S MolecularWeight: 575.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C30H33N5O5S/c1-5-6-16-40-23-12-10-20(11-13-23)29(37)31-22-9-7-8-21(17-22)28-33-34-30(35(28)2)41-19-27(36)32-25-18-24(38-3)14-15-26(25)39-4/h7-15,17-18H,5-6,16,19H2,1-4H3,(H,31,37)(H,32,36)