4-cyclopropyl-3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclopropyl-3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylthio]-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylthio]-1,2,4-triazole Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=CN3C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=CN3C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5OS/c1-28-20-11-7-16(8-12-20)21-17(13-27(25-21)19-5-3-2-4-6-19)14-29-22-24-23-15-26(22)18-9-10-18/h2-8,11-13,15,18H,9-10,14H2,1H3