ethyl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-methylphenyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C17H21N3O2S2/c1-4-10-20-15(11-23-14-8-6-13(3)7-9-14)18-19-17(20)24-12-16(21)22-5-2/h4,6-9H,1,5,10-12H2,2-3H3