methyl 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S/c1-3-12-23-18(16-9-5-4-6-10-16)21-22-20(23)26-14-15-8-7-11-17(13-15)19(24)25-2/h3-11,13H,1,12,14H2,2H3