N-[3,5-bis(trifluoromethyl)phenyl]-4-pyridin-3-yl-4H-pyrrolo[1,2-a]quinoxaline-5-carbothioamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-pyridin-3-yl-4H-pyrrolo[1,2-a]quinoxaline-5-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridinyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-pyridin-3-yl-4H-pyrrolo[1,2-a]quinoxaline-5-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carbothioamide Formula: C25H16F6N4S MolecularWeight: 518.476759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C=CC=C3C(N2C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N3C=CC=C3C(N2C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CN=CC=C5

InChI

InChI=1S/C25H16F6N4S/c26-24(27,28)16-11-17(25(29,30)31)13-18(12-16)33-23(36)35-20-7-2-1-6-19(20)34-10-4-8-21(34)22(35)15-5-3-9-32-14-15/h1-14,22H,(H,33,36)