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

Systemtic Name: methyl 4-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-24-16(23)13-4-2-11(3-5-13)10-25-17-21-20-15(22(17)19)12-6-8-14(18)9-7-12/h2-9H,10,19H2,1H3