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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NN=C1SCC2=CC=CC=C2Cl)N

Isomeric SMILES

CCOC(=O)CN1C(=NN=C1SCC2=CC=CC=C2Cl)N

InChI

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