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

Systemtic Name: methyl 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanoate Openeye Name: methyl 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanoate CAS Name: 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanoate Traditional Name: 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]valeric acid methyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)SC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)SC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-10(2)9-12(14(19)20-3)21-15-16-13(17-18-15)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,17,18)