8-(furan-2-yl)-3,3-dimethyl-6-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile

Systemtic Name: 8-(furan-2-yl)-3,3-dimethyl-6-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile Openeye Name: 8-(2-furyl)-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile CAS Name: 8-(2-furanyl)-3,3-dimethyl-6-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile IUPAC Name: 8-(furan-2-yl)-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile Traditional Name: 8-(2-furyl)-3,3-dimethyl-6-[4-(4-nitrobenzoyl)piperazino]-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile Formula: C26H25N5O4S MolecularWeight: 503.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2CS1)C3=CC=CO3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2CS1)C3=CC=CO3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C26H25N5O4S/c1-26(2)14-19-20(15-27)24(28-23(21(19)16-36-26)22-4-3-13-35-22)29-9-11-30(12-10-29)25(32)17-5-7-18(8-6-17)31(33)34/h3-8,13H,9-12,14,16H2,1-2H3