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

Systemtic Name: 3-[[4-azanyl-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-5-(4-chlorobenzyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C17H14ClN4O2S- MolecularWeight: 373.83666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(N2N)CC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2N)CC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H15ClN4O2S/c18-14-6-4-11(5-7-14)9-15-20-21-17(22(15)19)25-10-12-2-1-3-13(8-12)16(23)24/h1-8H,9-10,19H2,(H,23,24)/p-1