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

Systemtic Name: methyl 3-methyl-2-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: 3-methyl-2-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: 3-methyl-2-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C

InChI

InChI=1S/C18H24N4O3S/c1-5-12(2)16(17(24)25-4)19-15(23)11-26-18-21-20-13(3)22(18)14-9-7-6-8-10-14/h6-10,12,16H,5,11H2,1-4H3,(H,19,23)