2-[2-(3-oxidanylpropylamino)-1,3-benzothiazol-5-yl]benzaldehyde

Systemtic Name: 2-[2-(3-oxidanylpropylamino)-1,3-benzothiazol-5-yl]benzaldehyde Openeye Name: 2-[2-(3-hydroxypropylamino)-1,3-benzothiazol-5-yl]benzaldehyde CAS Name: 2-[2-(3-hydroxypropylamino)-1,3-benzothiazol-5-yl]benzaldehyde IUPAC Name: 2-[2-(3-hydroxypropylamino)-1,3-benzothiazol-5-yl]benzaldehyde Traditional Name: 2-[2-(3-hydroxypropylamino)-1,3-benzothiazol-5-yl]benzaldehyde Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)C2=CC3=C(C=C2)SC(=N3)NCCCO

Isomeric SMILES

C1=CC=C(C(=C1)C=O)C2=CC3=C(C=C2)SC(=N3)NCCCO

InChI

InChI=1S/C17H16N2O2S/c20-9-3-8-18-17-19-15-10-12(6-7-16(15)22-17)14-5-2-1-4-13(14)11-21/h1-2,4-7,10-11,20H,3,8-9H2,(H,18,19)