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

Systemtic Name: 2-[[4-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-phenyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-phenyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C22H17N5S3 MolecularWeight: 447.59888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=NC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=NC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N5S3/c1-2-6-17(7-3-1)27-20(15-29-22-24-18-8-4-5-9-19(18)30-22)25-26-21(27)28-14-16-10-12-23-13-11-16/h1-13H,14-15H2