4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-isobutylsulfanyl-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylpropylthio)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-(isobutylthio)-5-(3-methoxyphenyl)-1,2,4-triazole Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H20ClN3OS/c1-13(2)12-25-19-22-21-18(14-5-4-6-17(11-14)24-3)23(19)16-9-7-15(20)8-10-16/h4-11,13H,12H2,1-3H3