3,6-bis(azanyl)-4-butyl-2-(4-nitrophenyl)carbonyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-4-butyl-2-(4-nitrophenyl)carbonyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3,6-diamino-4-butyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3,6-diamino-4-butyl-2-[(4-nitrophenyl)-oxomethyl]-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3,6-diamino-4-butyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3,6-diamino-4-butyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)N)C#N

Isomeric SMILES

CCCCC1=C(C(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)N)C#N

InChI

InChI=1S/C19H17N5O3S/c1-2-3-4-12-13(9-20)18(22)23-19-14(12)15(21)17(28-19)16(25)10-5-7-11(8-6-10)24(26)27/h5-8H,2-4,21H2,1H3,(H2,22,23)