2-azanyl-6-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile Openeye Name: 2-amino-6-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile CAS Name: 2-amino-6-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-6-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile Traditional Name: 2-amino-6-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=C(C3)SC(=C4C#N)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=C(C3)SC(=C4C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S2/c21-12-16-15-7-10-23(13-19(15)30-20(16)22)17-6-5-14(11-18(17)25(26)27)31(28,29)24-8-3-1-2-4-9-24/h5-6,11H,1-4,7-10,13,22H2