4-[1-(3-sulfanylpyrrolidin-2-yl)ethenyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[1-(3-sulfanylpyrrolidin-2-yl)ethenyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[1-(3-sulfanylpyrrolidin-2-yl)vinyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[1-(3-mercapto-2-pyrrolidinyl)ethenyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[1-(3-sulfanylpyrrolidin-2-yl)ethenyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[1-(3-mercaptopyrrolidin-2-yl)vinyl]-1,4-diazepane-1-carbaldehyde Formula: C12H21N3OS MolecularWeight: 255.37964

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1C(CCN1)S)N2CCCN(CC2)C=O

Isomeric SMILES

C=C(C1C(CCN1)S)N2CCCN(CC2)C=O

InChI

InChI=1S/C12H21N3OS/c1-10(12-11(17)3-4-13-12)15-6-2-5-14(9-16)7-8-15/h9,11-13,17H,1-8H2