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

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-[(4-chlorophenoxy)methyl]-3-isopropylsulfanyl-1H-1,2,4-triazole CAS Name: 5-[(4-chlorophenoxy)methyl]-3-(propan-2-ylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chlorophenoxy)methyl]-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-[(4-chlorophenoxy)methyl]-3-(isopropylthio)-1H-1,2,4-triazole Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NNC(=N1)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)SC1=NNC(=N1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3OS/c1-8(2)18-12-14-11(15-16-12)7-17-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,15,16)