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

Systemtic Name: 3-(4-methoxyphenyl)-4-propan-2-yl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-isopropyl-3-(4-methoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-propan-2-yl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-propan-2-yl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-isopropyl-3-(4-methoxyphenyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23N5OS/c1-16(2)27-21(18-7-11-20(28-3)12-8-18)24-25-22(27)29-15-17-5-9-19(10-6-17)26-14-4-13-23-26/h4-14,16H,15H2,1-3H3