3-(1-benzofuran-2-yl)-5-(2-methylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-(2-methylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzofuran-2-yl)-5-(2-methylallylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-(2-methylprop-2-enylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-(2-methylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzofuran-2-yl)-5-(2-methylallylthio)-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(N1CC=C)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(=C)CSC1=NN=C(N1CC=C)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H17N3OS/c1-4-9-20-16(18-19-17(20)22-11-12(2)3)15-10-13-7-5-6-8-14(13)21-15/h4-8,10H,1-2,9,11H2,3H3