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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C21H18ClN3O2S/c1-14-18(10-11-27-14)20-23-24-21(25(20)17-6-4-3-5-7-17)28-13-15-12-16(22)8-9-19(15)26-2/h3-12H,13H2,1-2H3