(E,1S,2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-hept-4-en-1-ol

Systemtic Name: (E,1S,2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-hept-4-en-1-ol Openeye Name: (E,1S,2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-hept-4-en-1-ol CAS Name: (E,1S,2S)-2-(1,3-benzothiazol-2-ylthio)-1-phenyl-4-hepten-1-ol IUPAC Name: (E,1S,2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylhept-4-en-1-ol Traditional Name: (E,1S,2S)-2-(1,3-benzothiazol-2-ylthio)-1-phenyl-hept-4-en-1-ol Formula: C20H21NOS2 MolecularWeight: 355.51684

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C(C1=CC=CC=C1)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC/C=C/C[C@@H]([C@H](C1=CC=CC=C1)O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21NOS2/c1-2-3-5-14-18(19(22)15-10-6-4-7-11-15)24-20-21-16-12-8-9-13-17(16)23-20/h3-13,18-19,22H,2,14H2,1H3/b5-3+/t18-,19-/m0/s1