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

Systemtic Name: methyl 4-[[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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