2-azanyl-4-(5-butyl-4-nitro-thiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-butyl-4-nitro-thiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-4-nitro-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-4-nitro-2-thiophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-4-nitro-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O2S/c1-2-3-10-17-16(24(25)26)11-18(27-17)19-13-8-6-4-5-7-9-15(13)23-20(22)14(19)12-21/h11H,2-10H2,1H3,(H2,22,23)