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

Systemtic Name: (phenylmethyl) 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C16H15N5O2S/c17-21-15(13-7-4-8-18-9-13)19-20-16(21)24-11-14(22)23-10-12-5-2-1-3-6-12/h1-9H,10-11,17H2