(E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide

Systemtic Name: (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-3-[2-(3-bromophenyl)-4-thiazolyl]-2-cyano-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-N-(3-methoxypropyl)acrylamide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=CC1=CSC(=N1)C2=CC(=CC=C2)Br)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C/C1=CSC(=N1)C2=CC(=CC=C2)Br)/C#N

InChI

InChI=1S/C17H16BrN3O2S/c1-23-7-3-6-20-16(22)13(10-19)9-15-11-24-17(21-15)12-4-2-5-14(18)8-12/h2,4-5,8-9,11H,3,6-7H2,1H3,(H,20,22)/b13-9+