5-(5-chloranyl-2-methoxy-phenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-isopropylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylthio)-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-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)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3OS/c1-7(2)18-12-14-11(15-16-12)9-6-8(13)4-5-10(9)17-3/h4-7H,1-3H3,(H,14,15,16)