3-[(2-ethoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-ethoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-ethoxyphenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(2-ethoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-ethoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-ethoxybenzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

InChI

InChI=1S/C19H21N3O2S/c1-4-11-22-18(16-10-12-24-14(16)3)20-21-19(22)25-13-15-8-6-7-9-17(15)23-5-2/h4,6-10,12H,1,5,11,13H2,2-3H3