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

Systemtic Name: N-[1-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide Openeye Name: N-[1-[4-ethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide CAS Name: N-[1-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide IUPAC Name: N-[1-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide Traditional Name: N-[1-[4-ethyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C(C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C(C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H26N4OS/c1-5-26-20(17(4)23-21(27)19-8-6-7-16(3)13-19)24-25-22(26)28-14-18-11-9-15(2)10-12-18/h6-13,17H,5,14H2,1-4H3,(H,23,27)