N-(1,3-benzodioxol-5-yl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-bromophenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-bromophenyl)imidazol-2-yl]thio]propionamide Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H16BrN3O3S/c1-12(18(24)22-14-4-7-16-17(10-14)26-11-25-16)27-19-21-8-9-23(19)15-5-2-13(20)3-6-15/h2-10,12H,11H2,1H3,(H,22,24)