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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(2-propoxyphenyl)methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(2-propoxyphenyl)methanimine CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-(2-propoxyphenyl)methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(2-propoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(2-propoxybenzylidene)amine Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4OS/c1-3-13-25-19-12-8-7-11-18(19)14-21-24-16(2)22-23-20(24)26-15-17-9-5-4-6-10-17/h4-12,14H,3,13,15H2,1-2H3/b21-14+