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

Systemtic Name: 5-(4-ethylphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-ethylphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-ethylphenyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-ethylphenyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-ethylphenyl)-3-[(4-pyrazol-1-ylbenzyl)thio]-1H-1,2,4-triazole Formula: C20H19N5S MolecularWeight: 361.46336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H19N5S/c1-2-15-4-8-17(9-5-15)19-22-20(24-23-19)26-14-16-6-10-18(11-7-16)25-13-3-12-21-25/h3-13H,2,14H2,1H3,(H,22,23,24)