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

Systemtic Name: methyl 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C11H12N4O2S/c1-17-9(16)7-18-11-14-13-10(15(11)12)8-5-3-2-4-6-8/h2-6H,7,12H2,1H3