6-tert-butyl-2-(2-methanoyl-4-nitro-phenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-(2-methanoyl-4-nitro-phenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-(2-formyl-4-nitro-phenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[(2-formyl-4-nitrophenyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-(2-formyl-4-nitrophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(2-formyl-4-nitro-phenyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C#N

InChI

InChI=1S/C21H21N3O3S/c1-21(2,3)16-4-6-18-13(9-16)8-14(11-22)20(23-18)28-19-7-5-17(24(26)27)10-15(19)12-25/h5,7-8,10,12,16H,4,6,9H2,1-3H3