2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-5-chloranyl-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-5-chloranyl-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-chloro-benzimidazole CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-5-chloro-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-chlorobenzimidazole Traditional Name: 1-benzyl-2-[(1-butyltetrazol-5-yl)methylthio]-5-chloro-benzimidazole Formula: C20H21ClN6S MolecularWeight: 412.93894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C20H21ClN6S/c1-2-3-11-27-19(23-24-25-27)14-28-20-22-17-12-16(21)9-10-18(17)26(20)13-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13-14H2,1H3