ethyl 2-[2-[[5-[(4-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[2-[[5-[(4-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-butanoate Openeye Name: ethyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-butyric acid ethyl ester Formula: C24H27ClN4O4S MolecularWeight: 503.01358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H27ClN4O4S/c1-4-32-23(31)22(16(2)3)26-21(30)15-34-24-28-27-20(29(24)18-8-6-5-7-9-18)14-33-19-12-10-17(25)11-13-19/h5-13,16,22H,4,14-15H2,1-3H3,(H,26,30)