3-(5-chloranyl-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(5-chloranyl-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(5-chlorobenzofuran-2-yl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(5-chloro-2-benzofuranyl)-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(5-chloro-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(5-chlorobenzofuran-2-yl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H18ClN3OS/c1-3-10-25-20(19-12-16-11-17(22)8-9-18(16)26-19)23-24-21(25)27-13-15-6-4-14(2)5-7-15/h3-9,11-12H,1,10,13H2,2H3