methyl 4-[5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-4-oxo-butanoate CAS Name: 4-[5-amino-3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-1-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-4-oxobutanoate Traditional Name: 4-[5-amino-3-[(4-chlorobenzyl)thio]-1,2,4-triazol-1-yl]-4-keto-butyric acid methyl ester Formula: C14H15ClN4O3S MolecularWeight: 354.8119

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1C(=NC(=N1)SCC2=CC=C(C=C2)Cl)N

Isomeric SMILES

COC(=O)CCC(=O)N1C(=NC(=N1)SCC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C14H15ClN4O3S/c1-22-12(21)7-6-11(20)19-13(16)17-14(18-19)23-8-9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H2,16,17,18)