3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-cyclohexyl-5-[(3,4-dichlorobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C21H21Cl2N3S MolecularWeight: 418.38254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3S/c22-18-12-11-15(13-19(18)23)14-27-21-25-24-20(16-7-3-1-4-8-16)26(21)17-9-5-2-6-10-17/h2,5-6,9-13,16H,1,3-4,7-8,14H2