2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-o-anisyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC(CC(C)C2=CC=CC=C2)C(=O)N(CC3=CC=CC=C3OC)C4=NC=NN4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC(CC(C)C2=CC=CC=C2)C(=O)N(CC3=CC=CC=C3OC)C4=NC=NN4)C

InChI

InChI=1S/C30H34N4O2S/c1-21-14-22(2)16-24(15-21)19-37-28(17-23(3)25-10-6-5-7-11-25)29(35)34(30-31-20-32-33-30)18-26-12-8-9-13-27(26)36-4/h5-16,20,23,28H,17-19H2,1-4H3,(H,31,32,33)