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

Systemtic Name: methyl 3-methyl-2-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: 3-methyl-2-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3S/c1-4-12(2)15(16(23)24-3)19-14(22)10-25-17-18-11-21(20-17)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3,(H,19,22)