N-[(2-methoxyphenyl)methyl]-2-phenethylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-phenethylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-phenethylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-(phenethylthio)-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-phenethylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: N-o-anisyl-2-(phenethylthio)-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC1=CC=CC=C1OC)C2=NC=NN2)SCCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)N(CC1=CC=CC=C1OC)C2=NC=NN2)SCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-3-20(29-14-13-17-9-5-4-6-10-17)21(27)26(22-23-16-24-25-22)15-18-11-7-8-12-19(18)28-2/h4-12,16,20H,3,13-15H2,1-2H3,(H,23,24,25)