3-(5-hex-1-ynylfuran-2-yl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(5-hex-1-ynylfuran-2-yl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(5-hex-1-ynyl-2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-(5-hex-1-ynyl-2-furanyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(5-hex-1-ynylfuran-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(5-hex-1-ynyl-2-furyl)-4-methyl-1,2,4-triazole Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(O1)C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=CC=C(O1)C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-3-4-5-9-12-17-13-14-18(24-17)19-21-22-20(23(19)2)25-15-16-10-7-6-8-11-16/h6-8,10-11,13-14H,3-5,15H2,1-2H3