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

Systemtic Name: 3-(2-methylfuran-3-yl)-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-methyl-3-furyl)-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-4-phenyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-methyl-3-furyl)-4-phenyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C23H19N5OS MolecularWeight: 413.49486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H19N5OS/c1-17-21(12-15-29-17)22-25-26-23(28(22)20-6-3-2-4-7-20)30-16-18-8-10-19(11-9-18)27-14-5-13-24-27/h2-15H,16H2,1H3