4-butoxy-N-[3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: 4-butoxy-N-[3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: 4-butoxy-N-[3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: 4-butoxy-N-[3-[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 4-butoxy-N-[3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: 4-butoxy-N-[3-[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C31H36N4O2S MolecularWeight: 528.70814

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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)SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H36N4O2S/c1-6-7-19-37-27-17-13-23(14-18-27)29(36)32-26-10-8-9-24(20-26)28-33-34-30(35(28)5)38-21-22-11-15-25(16-12-22)31(2,3)4/h8-18,20H,6-7,19,21H2,1-5H3,(H,32,36)