3-(furan-2-yl)-4-(2-methylpropyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-4-(2-methylpropyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-isobutyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-(2-methylpropyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-(2-methylpropyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-isobutyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CO4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CO4

InChI

InChI=1S/C20H21N5OS/c1-15(2)13-24-19(18-5-3-12-26-18)22-23-20(24)27-14-16-6-8-17(9-7-16)25-11-4-10-21-25/h3-12,15H,13-14H2,1-2H3