2-(2-methanoyl-4-nitro-phenyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(2-methanoyl-4-nitro-phenyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-(2-formyl-4-nitro-phenyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[(2-formyl-4-nitrophenyl)thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(2-formyl-4-nitrophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[(2-formyl-4-nitro-phenyl)thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C18H15N3O3S/c19-10-13-8-12-4-2-1-3-5-16(12)20-18(13)25-17-7-6-15(21(23)24)9-14(17)11-22/h6-9,11H,1-5H2