3-[(4-chlorophenyl)methylsulfanyl]-5-(5-hex-1-ynylfuran-2-yl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(5-hex-1-ynylfuran-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(5-hex-1-ynyl-2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(5-hex-1-ynyl-2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(5-hex-1-ynylfuran-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(5-hex-1-ynyl-2-furyl)-4-methyl-1,2,4-triazole Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c1-3-4-5-6-7-17-12-13-18(25-17)19-22-23-20(24(19)2)26-14-15-8-10-16(21)11-9-15/h8-13H,3-5,14H2,1-2H3