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

Systemtic Name: propan-2-yl 2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-amino-5-m-phenetyl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)OC(C)C

InChI

InChI=1S/C15H20N4O3S/c1-4-21-12-7-5-6-11(8-12)14-17-18-15(19(14)16)23-9-13(20)22-10(2)3/h5-8,10H,4,9,16H2,1-3H3