4-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C16H12ClN4O2S- MolecularWeight: 359.81008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H13ClN4O2S/c17-13-3-1-2-12(8-13)14-19-20-16(21(14)18)24-9-10-4-6-11(7-5-10)15(22)23/h1-8H,9,18H2,(H,22,23)/p-1