butan-2-yl 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: butan-2-yl 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: sec-butyl 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid sec-butyl ester Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN4O2S/c1-3-9(2)21-12(20)8-22-14-18-17-13(19(14)16)10-4-6-11(15)7-5-10/h4-7,9H,3,8,16H2,1-2H3