1-(4-ethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 1-(4-ethoxyphenyl)-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

InChI

InChI=1S/C20H21N3O3S/c1-4-11-23-19(17-10-12-26-14(17)3)21-22-20(23)27-13-18(24)15-6-8-16(9-7-15)25-5-2/h4,6-10,12H,1,5,11,13H2,2-3H3