butyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=CN1C2=CC=CC=C2C

Isomeric SMILES

CCCCOC(=O)CSC1=NN=CN1C2=CC=CC=C2C

InChI

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