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

Systemtic Name: (phenylmethyl) 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoate Openeye Name: benzyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetic acid benzyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c19-17-20-21-18(25-13-15-9-5-2-6-10-15)22(17)11-16(23)24-12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,19,20)