methyl 2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-allyl-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-3-13-24-19(22-23-21(24)28-15-20(25)26-2)14-27-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h3-12H,1,13-15H2,2H3