ethyl 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoate

Systemtic Name: ethyl 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoate Openeye Name: ethyl 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetate CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetate Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetic acid ethyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NN=C1SCCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CN1C(=NN=C1SCCC2=CC=CC=C2)N

InChI

InChI=1S/C14H18N4O2S/c1-2-20-12(19)10-18-13(15)16-17-14(18)21-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16)