1-(4-butoxyphenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-butoxyphenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(4-butoxyphenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine CAS Name: 1-(4-butoxyphenyl)-N-[3-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(4-butoxyphenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Traditional Name: (E)-(4-butoxybenzylidene)-[3-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C=NN=C2SCC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN4OS/c1-2-3-12-26-18-10-8-16(9-11-18)13-23-25-15-22-24-20(25)27-14-17-6-4-5-7-19(17)21/h4-11,13,15H,2-3,12,14H2,1H3/b23-13+