2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c25-18(21-11-10-15-5-2-1-3-6-15)14-27-20-23-22-19(16-8-9-16)24(20)13-17-7-4-12-26-17/h1-7,12,16H,8-11,13-14H2,(H,21,25)