4-(3-chloranyl-4-methyl-phenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-(p-anisylthio)-1,2,4-triazole Formula: C17H16ClN3OS MolecularWeight: 345.84644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-12-3-6-14(9-16(12)18)21-11-19-20-17(21)23-10-13-4-7-15(22-2)8-5-13/h3-9,11H,10H2,1-2H3