2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-5-chloranyl-1,3-benzothiazole

Systemtic Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-5-chloranyl-1,3-benzothiazole Openeye Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-5-chloro-1,3-benzothiazole CAS Name: 2-[5-(1H-benzimidazol-2-ylthio)pentylthio]-5-chloro-1,3-benzothiazole IUPAC Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-5-chloro-1,3-benzothiazole Traditional Name: 2-[5-(1H-benzimidazol-2-ylthio)pentylthio]-5-chloro-1,3-benzothiazole Formula: C19H18ClN3S3 MolecularWeight: 420.01432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCCCSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCCCSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H18ClN3S3/c20-13-8-9-17-16(12-13)23-19(26-17)25-11-5-1-4-10-24-18-21-14-6-2-3-7-15(14)22-18/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22)