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

Systemtic Name: propan-2-yl 4-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O2S/c1-12(2)26-18(25)15-5-3-13(4-6-15)11-27-19-23-22-17(24(19)21)14-7-9-16(20)10-8-14/h3-10,12H,11,21H2,1-2H3