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

Systemtic Name: 3-cyclopropyl-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclopropyl-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-4-phenyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-cyclopropyl-4-phenyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclopropyl-4-phenyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C21H19N5S MolecularWeight: 373.47406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C21H19N5S/c1-2-5-19(6-3-1)26-20(17-9-10-17)23-24-21(26)27-15-16-7-11-18(12-8-16)25-14-4-13-22-25/h1-8,11-14,17H,9-10,15H2