3-(1-benzofuran-2-yl)-5-butan-2-ylsulfanyl-4-(2-methoxyethyl)-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-butan-2-ylsulfanyl-4-(2-methoxyethyl)-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-(2-methoxyethyl)-5-sec-butylsulfanyl-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-(butan-2-ylthio)-4-(2-methoxyethyl)-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-butan-2-ylsulfanyl-4-(2-methoxyethyl)-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-(2-methoxyethyl)-5-(sec-butylthio)-1,2,4-triazole Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1CCOC)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCC(C)SC1=NN=C(N1CCOC)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H21N3O2S/c1-4-12(2)23-17-19-18-16(20(17)9-10-21-3)15-11-13-7-5-6-8-14(13)22-15/h5-8,11-12H,4,9-10H2,1-3H3