1-(4-bromanyl-6-butan-2-yl-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde

Systemtic Name: 1-(4-bromanyl-6-butan-2-yl-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Openeye Name: 1-(4-bromo-6-sec-butyl-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde CAS Name: 1-(4-bromo-6-butan-2-yl-1,3-benzothiazol-2-yl)-2-pyrrolecarboxaldehyde IUPAC Name: 1-(4-bromo-6-butan-2-yl-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Traditional Name: 1-(4-bromo-6-sec-butyl-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Formula: C16H15BrN2OS MolecularWeight: 363.2721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C(=C1)Br)N=C(S2)N3C=CC=C3C=O

Isomeric SMILES

CCC(C)C1=CC2=C(C(=C1)Br)N=C(S2)N3C=CC=C3C=O

InChI

InChI=1S/C16H15BrN2OS/c1-3-10(2)11-7-13(17)15-14(8-11)21-16(18-15)19-6-4-5-12(19)9-20/h4-10H,3H2,1-2H3