2-[[4-(4-ethylphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[4-(4-ethylphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-ethylphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[4-(4-ethylphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-(4-ethylphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC=C)C3=C(OC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC=C)C3=C(OC=C3)C

InChI

InChI=1S/C20H22N4O2S/c1-4-11-21-18(25)13-27-20-23-22-19(17-10-12-26-14(17)3)24(20)16-8-6-15(5-2)7-9-16/h4,6-10,12H,1,5,11,13H2,2-3H3,(H,21,25)