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

Systemtic Name: 4-cyclohexyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3,4-dichlorophenyl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3,4-dichlorobenzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C20H21Cl2N3S2 MolecularWeight: 438.43684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3S2/c21-17-9-8-14(11-18(17)22)13-27-20-24-23-19(12-16-7-4-10-26-16)25(20)15-5-2-1-3-6-15/h4,7-11,15H,1-3,5-6,12-13H2