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

Systemtic Name: 2-[[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C22H22N4OS3 MolecularWeight: 454.63128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS3/c1-2-8-16(9-3-1)26-20(15-29-22-23-18-11-4-5-12-19(18)30-22)24-25-21(26)28-14-17-10-6-7-13-27-17/h1-5,8-9,11-12,17H,6-7,10,13-15H2