2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(2-methylpropyl)propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(2-methylpropyl)propanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-isobutyl-N-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(2-methylpropyl)propanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(2-methylpropyl)propanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-isobutyl-N-[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]propionamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC(C)C(=O)N(CC(C)C)C2=NN=CN2C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC(C)C(=O)N(CC(C)C)C2=NN=CN2C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C25H32N4O2S/c1-17(2)14-28(24(30)20(5)32-15-21-11-18(3)10-19(4)12-21)25-27-26-16-29(25)22-8-7-9-23(13-22)31-6/h7-13,16-17,20H,14-15H2,1-6H3