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

Systemtic Name: butyl 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O2S/c1-2-3-8-20-12(19)9-21-14-16-13(17-18-14)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,17,18)