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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC2=CC=C(C=C2)C)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC2=CC=C(C=C2)C)N

InChI

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