N2,N5-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide

Systemtic Name: N2,N5-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide Openeye Name: N2,N5-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-2,5-dicarboxamide CAS Name: N2,N5-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide IUPAC Name: 2-N,5-N-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-2,5-dicarboxamide Traditional Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isocinchomeronamide Formula: C27H25N5O2S2 MolecularWeight: 515.6497

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CN=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CN=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C#N

InChI

InChI=1S/C27H25N5O2S2/c1-14-3-6-17-19(11-28)26(35-22(17)9-14)31-24(33)16-5-8-21(30-13-16)25(34)32-27-20(12-29)18-7-4-15(2)10-23(18)36-27/h5,8,13-15H,3-4,6-7,9-10H2,1-2H3,(H,31,33)(H,32,34)