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

Systemtic Name: (phenylmethyl) 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13-7-9-15(10-8-13)17-20-21-18(22(17)19)25-12-16(23)24-11-14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3