5-(2-cyclopentylethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-cyclopentylethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-cyclopentylethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-cyclopentylethyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-cyclopentylethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-cyclopentylethyl)-3-[(4-pyrazol-1-ylbenzyl)thio]-1H-1,2,4-triazole Formula: C19H23N5S MolecularWeight: 353.48442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H23N5S/c1-2-5-15(4-1)8-11-18-21-19(23-22-18)25-14-16-6-9-17(10-7-16)24-13-3-12-20-24/h3,6-7,9-10,12-13,15H,1-2,4-5,8,11,14H2,(H,21,22,23)