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

Systemtic Name: ethyl 4-[[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: ethyl 4-[(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate CAS Name: 4-[[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 4-[[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]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)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C19H20N4O2S/c1-2-25-17(24)16-10-8-14(9-11-16)12-23-18(20)21-22-19(23)26-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H2,20,21)