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

Systemtic Name: 2-[[5-(oxan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-benzyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[5-(2-oxanylmethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-benzyl-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-benzyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C23H24N4OS3 MolecularWeight: 468.65786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2CC3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2CC3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H24N4OS3/c1-2-8-17(9-3-1)14-27-21(16-30-23-24-19-11-4-5-12-20(19)31-23)25-26-22(27)29-15-18-10-6-7-13-28-18/h1-5,8-9,11-12,18H,6-7,10,13-16H2