2-azanyl-1-[5-[2,4-bis(fluoranyl)phenyl]sulfanyl-1,3-benzothiazol-2-yl]-4-thiophen-2-yl-butan-1-ol

Systemtic Name: 2-azanyl-1-[5-[2,4-bis(fluoranyl)phenyl]sulfanyl-1,3-benzothiazol-2-yl]-4-thiophen-2-yl-butan-1-ol Openeye Name: 2-amino-1-[5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-2-yl]-4-(2-thienyl)butan-1-ol CAS Name: 2-amino-1-[5-[(2,4-difluorophenyl)thio]-1,3-benzothiazol-2-yl]-4-thiophen-2-yl-1-butanol IUPAC Name: 2-amino-1-[5-(2,4-difluorophenyl)sulfanyl-1,3-benzothiazol-2-yl]-4-thiophen-2-ylbutan-1-ol Traditional Name: 2-amino-1-[5-[(2,4-difluorophenyl)thio]-1,3-benzothiazol-2-yl]-4-(2-thienyl)butan-1-ol Formula: C21H18F2N2OS3 MolecularWeight: 448.572226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCC(C(C2=NC3=C(S2)C=CC(=C3)SC4=C(C=C(C=C4)F)F)O)N

Isomeric SMILES

C1=CSC(=C1)CCC(C(C2=NC3=C(S2)C=CC(=C3)SC4=C(C=C(C=C4)F)F)O)N

InChI

InChI=1S/C21H18F2N2OS3/c22-12-3-7-18(15(23)10-12)28-14-5-8-19-17(11-14)25-21(29-19)20(26)16(24)6-4-13-2-1-9-27-13/h1-3,5,7-11,16,20,26H,4,6,24H2