2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-butyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=CO3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=CO3

InChI

InChI=1S/C16H17N3O2S2/c1-2-3-8-19-15(13-6-4-9-21-13)17-18-16(19)23-11-12(20)14-7-5-10-22-14/h4-7,9-10H,2-3,8,11H2,1H3