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

Systemtic Name: methyl 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c1-3-4-10-19-14(11-13-8-6-5-7-9-13)17-18-16(19)22-12-15(20)21-2/h5-9H,3-4,10-12H2,1-2H3