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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-(phenacylthio)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-p-anisyl-2-(phenacylthio)-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CC1=CC=C(C=C1)OC)C2=NC=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)N(CC1=CC=C(C=C1)OC)C2=NC=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S/c1-3-7-21(31-15-20(28)18-8-5-4-6-9-18)22(29)27(23-24-16-25-26-23)14-17-10-12-19(30-2)13-11-17/h4-6,8-13,16,21H,3,7,14-15H2,1-2H3,(H,24,25,26)