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

Systemtic Name: 3-(furan-2-yl)-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-methyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-methyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5OS/c1-21-16(15-4-2-11-23-15)19-20-17(21)24-12-13-5-7-14(8-6-13)22-10-3-9-18-22/h2-11H,12H2,1H3