methyl 4-[(E)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(E)-[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(E)-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid methyl ester Formula: C18H15ClN4O2S MolecularWeight: 386.8553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C=NN=C2SCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O2S/c1-25-17(24)15-6-2-13(3-7-15)10-21-23-12-20-22-18(23)26-11-14-4-8-16(19)9-5-14/h2-10,12H,11H2,1H3/b21-10+