propan-2-yl 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)OC(C)C

InChI

InChI=1S/C14H18N4O2S/c1-9(2)20-12(19)8-21-14-17-16-13(18(14)15)11-6-4-10(3)5-7-11/h4-7,9H,8,15H2,1-3H3