2-(1,3-benzothiazol-2-ylsulfanyl)cycloheptene-1-carbaldehyde

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)cycloheptene-1-carbaldehyde Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)cycloheptene-1-carbaldehyde CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-cycloheptenecarboxaldehyde IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)cycloheptene-1-carbaldehyde Traditional Name: 2-(1,3-benzothiazol-2-ylthio)cycloheptene-1-carbaldehyde Formula: C15H15NOS2 MolecularWeight: 289.4157

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(CC1)SC2=NC3=CC=CC=C3S2)C=O

Isomeric SMILES

C1CCC(=C(CC1)SC2=NC3=CC=CC=C3S2)C=O

InChI

InChI=1S/C15H15NOS2/c17-10-11-6-2-1-3-8-13(11)18-15-16-12-7-4-5-9-14(12)19-15/h4-5,7,9-10H,1-3,6,8H2