ethyl 4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H20N4O2S/c1-3-25-18(24)16-10-6-14(7-11-16)12-26-19-22-21-17(23(19)20)15-8-4-13(2)5-9-15/h4-11H,3,12,20H2,1-2H3