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

Systemtic Name: methyl 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-3-4-10-18-14(12-8-6-5-7-9-12)16-17-15(18)21-11-13(19)20-2/h5-9H,3-4,10-11H2,1-2H3