3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C16H16ClN3O2S/c1-10-13(6-7-22-10)15-18-19-16(20(15)2)23-9-11-8-12(17)4-5-14(11)21-3/h4-8H,9H2,1-3H3