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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C=NN=C2SCC3=CC=CC=C3Cl

Isomeric SMILES

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

InChI

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