3-(5-bromanylthiophen-2-yl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-(5-bromo-2-thienyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-(5-bromo-2-thiophenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-(5-bromothiophen-2-yl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-(5-bromo-2-thienyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C18H16BrN3OS MolecularWeight: 402.30814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC=C(S3)Br)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC=C(S3)Br)C#N

InChI

InChI=1S/C18H16BrN3OS/c19-17-7-6-16(24-17)12-14(13-20)18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11H2