2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-(1-piperidylsulfonyl)-1,3-benzoxazole CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-5-(1-piperidinylsulfonyl)-1,3-benzoxazole IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]-5-piperidinosulfonyl-1,3-benzoxazole Formula: C18H24N6O3S2 MolecularWeight: 436.55156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C18H24N6O3S2/c1-2-3-11-24-17(20-21-22-24)13-28-18-19-15-12-14(7-8-16(15)27-18)29(25,26)23-9-5-4-6-10-23/h7-8,12H,2-6,9-11,13H2,1H3