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

Systemtic Name: propyl 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C13H15ClN4O2S MolecularWeight: 326.8018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Cl

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H15ClN4O2S/c1-2-7-20-11(19)8-21-13-17-16-12(18(13)15)9-5-3-4-6-10(9)14/h3-6H,2,7-8,15H2,1H3