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

Systemtic Name: 2-chloranyl-5-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-[(4-methoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-(3-p-anisyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C17H13ClN3O3S- MolecularWeight: 374.82142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H14ClN3O3S/c1-24-12-5-2-10(3-6-12)8-15-19-20-17(25)21(15)11-4-7-14(18)13(9-11)16(22)23/h2-7,9H,8H2,1H3,(H,20,25)(H,22,23)/p-1