1-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethoxyphenyl)-2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethoxyphenyl)-2-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 2-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-propan-1-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CO3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CO3)C(C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-26-17-10-8-16(9-11-17)19(25)15(4)28-21-23-22-20(14(2)3)24(21)13-18-7-6-12-27-18/h6-12,14-15H,5,13H2,1-4H3