3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-5-isopropylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-4-phenyl-5-(propan-2-ylthio)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-5-(isopropylthio)-4-phenyl-1,2,4-triazole Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-13(2)24-18-21-20-17(22(18)15-6-4-3-5-7-15)12-23-16-10-8-14(19)9-11-16/h3-11,13H,12H2,1-2H3