N-(furan-2-ylmethyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: N-(2-furanylmethyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H24N4O2S/c1-4-11-25-20(17-9-7-16(8-10-17)15(2)3)23-24-21(25)28-14-19(26)22-13-18-6-5-12-27-18/h4-10,12,15H,1,11,13-14H2,2-3H3,(H,22,26)