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

Systemtic Name: ethyl 4-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1CC=C)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1CC=C)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H23N3O2S/c1-4-11-21-17(15-9-6-8-14(3)13-15)19-20-18(21)24-12-7-10-16(22)23-5-2/h4,6,8-9,13H,1,5,7,10-12H2,2-3H3