2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]prop-2-enenitrile Openeye Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-bromophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-bromophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-bromophenyl)thiazol-2-yl]acrylonitrile Formula: C21H14BrN3O3S MolecularWeight: 468.32316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)Br)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)Br)OCO2

InChI

InChI=1S/C21H14BrN3O3S/c1-12(26)16-6-19-20(28-11-27-19)7-17(16)24-9-14(8-23)21-25-18(10-29-21)13-3-2-4-15(22)5-13/h2-7,9-10,24H,11H2,1H3