N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(4-pentoxyphenyl)methanimine

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(4-pentoxyphenyl)methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-pentoxyphenyl)methanimine CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-(4-pentoxyphenyl)methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-pentoxyphenyl)methanimine Traditional Name: (E)-(4-amoxybenzylidene)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]amine Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4OS/c1-3-4-8-15-27-21-13-11-19(12-14-21)16-23-26-18(2)24-25-22(26)28-17-20-9-6-5-7-10-20/h5-7,9-14,16H,3-4,8,15,17H2,1-2H3/b23-16+