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

Systemtic Name: 4-cyclohexyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(4-pyrazol-1-ylbenzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C23H25N5S2 MolecularWeight: 435.6081

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4)CC5=CC=CS5

InChI

InChI=1S/C23H25N5S2/c1-2-6-20(7-3-1)28-22(16-21-8-4-15-29-21)25-26-23(28)30-17-18-9-11-19(12-10-18)27-14-5-13-24-27/h4-5,8-15,20H,1-3,6-7,16-17H2