2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole Openeye Name: 2-benzylsulfanyl-5-[(3-methyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)methylthio]-5-(phenylmethylthio)-1,3,4-thiadiazole IUPAC Name: 2-benzylsulfanyl-5-[(3-methyl-1H-benzimidazol-3-ium-2-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(benzylthio)-5-[(3-methyl-1H-benzimidazol-3-ium-2-yl)methylthio]-1,3,4-thiadiazole Formula: C18H17N4S3+ MolecularWeight: 385.54938

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)CSC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)CSC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C18H16N4S3/c1-22-15-10-6-5-9-14(15)19-16(22)12-24-18-21-20-17(25-18)23-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/p+1