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

Systemtic Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[[5-cyclopropyl-4-(2-furfuryl)-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(N2CC3=CC=CO3)C4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4CC4

InChI

InChI=1S/C20H21N3O3S/c1-2-25-16-9-7-14(8-10-16)18(24)13-27-20-22-21-19(15-5-6-15)23(20)12-17-4-3-11-26-17/h3-4,7-11,15H,2,5-6,12-13H2,1H3