2-azanyl-4-(5-methyl-4-nitro-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-methyl-4-nitro-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-methyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-methyl-4-nitro-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-methyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O2S/c1-9-13(20(21)22)7-14(23-9)15-10-5-3-2-4-6-12(10)19-16(18)11(15)8-17/h7H,2-6H2,1H3,(H2,18,19)