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

Systemtic Name: ethyl 4-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-2-25-17(24)13-9-7-12(8-10-13)11-26-18-22-21-16(23(18)20)14-5-3-4-6-15(14)19/h3-10H,2,11,20H2,1H3