2-[[4-ethyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-ethyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-ethyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-ethyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-ethyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-ethyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C22H20N6S3 MolecularWeight: 464.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N6S3/c1-2-27-20(15-30-22-24-18-6-3-4-7-19(18)31-22)25-26-21(27)29-14-16-8-10-17(11-9-16)28-13-5-12-23-28/h3-13H,2,14-15H2,1H3