2-[[4-phenyl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-phenyl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-phenyl-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-phenyl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-phenyl-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C23H19N5S3 MolecularWeight: 461.62546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=NC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=NC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H19N5S3/c1-2-6-18(7-3-1)28-21(16-30-23-25-19-8-4-5-9-20(19)31-23)26-27-22(28)29-15-12-17-10-13-24-14-11-17/h1-11,13-14H,12,15-16H2