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

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-5-methoxy-2-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-5-methoxy-2-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-5-methoxy-2-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-5-methoxy-2-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-5-methoxy-2-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C26H34N4O2S MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC(C)(CCCOC)C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC(C)(CCCOC)C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3)C

InChI

InChI=1S/C26H34N4O2S/c1-20-15-21(2)17-23(16-20)18-33-26(3,12-8-14-32-4)24(31)30(25-27-19-28-29-25)13-11-22-9-6-5-7-10-22/h5-7,9-10,15-17,19H,8,11-14,18H2,1-4H3,(H,27,28,29)