3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-cyclohexyl-5-(2-thenyl)-1,2,4-triazole Formula: C20H22ClN3S2 MolecularWeight: 403.99178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CC4=CC=CS4

InChI

InChI=1S/C20H22ClN3S2/c21-16-10-8-15(9-11-16)14-26-20-23-22-19(13-18-7-4-12-25-18)24(20)17-5-2-1-3-6-17/h4,7-12,17H,1-3,5-6,13-14H2