N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]heptanamide

Systemtic Name: N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]heptanamide Openeye Name: N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]heptanamide CAS Name: N-[[5-[(3-methoxyphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]heptanamide IUPAC Name: N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]heptanamide Traditional Name: N-[[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]enanthamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H32N4O2S/c1-4-5-6-7-11-24(30)26-17-23-27-28-25(29(23)21-14-12-19(2)13-15-21)32-18-20-9-8-10-22(16-20)31-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3,(H,26,30)