4-butyl-N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 4-butyl-N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 4-butyl-N-[1-[4-(5-chloro-2-methyl-phenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-butyl-N-[1-[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-butyl-N-[1-[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 4-butyl-N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C30H33ClN4OS MolecularWeight: 533.12722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC=C4C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC=C4C

InChI

InChI=1S/C30H33ClN4OS/c1-5-6-10-23-13-15-24(16-14-23)29(36)32-22(4)28-33-34-30(37-19-25-11-8-7-9-20(25)2)35(28)27-18-26(31)17-12-21(27)3/h7-9,11-18,22H,5-6,10,19H2,1-4H3,(H,32,36)