4-(3-chloranyl-4-methyl-phenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chloro-4-methylphenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-1,2,4-triazole Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=CN3C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=CN3C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-4-26-19-8-15-7-14(3)27-20(15)9-16(19)11-28-21-24-23-12-25(21)17-6-5-13(2)18(22)10-17/h5-6,8-10,12,14H,4,7,11H2,1-3H3