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

Systemtic Name: methyl 2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC=C)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC=C)CCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S/c1-3-11-19-14(10-9-13-7-5-4-6-8-13)17-18-16(19)22-12-15(20)21-2/h3-8H,1,9-12H2,2H3