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

Systemtic Name: ethyl 2-[[4-(3-methoxypropyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-methoxypropyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-benzyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CCCOC)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CCCOC)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S/c1-3-23-16(21)13-24-17-19-18-15(20(17)10-7-11-22-2)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3