methyl 3-[3-[(2-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate

Systemtic Name: methyl 3-[3-[(2-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: methyl 3-[3-[(2-chlorophenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 3-[3-[(2-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[(2-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 3-[3-(2-chlorobenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid methyl ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=NNC2=S)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=NNC2=S)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H14ClN3O2S/c1-23-16(22)12-6-4-7-13(9-12)21-15(19-20-17(21)24)10-11-5-2-3-8-14(11)18/h2-9H,10H2,1H3,(H,20,24)