(Z)-[(3E)-2-morpholin-4-ium-4-ylidene-3-[(3-nitrophenyl)methylidene]cyclopentylidene]-phenylazanyl-methanethiol

Systemtic Name: (Z)-[(3E)-2-morpholin-4-ium-4-ylidene-3-[(3-nitrophenyl)methylidene]cyclopentylidene]-phenylazanyl-methanethiol Openeye Name: (Z)-anilino-[(3E)-2-morpholin-4-ium-4-ylidene-3-[(3-nitrophenyl)methylene]cyclopentylidene]methanethiol CAS Name: (Z)-anilino-[(3E)-2-(4-morpholin-4-iumylidene)-3-[(3-nitrophenyl)methylidene]cyclopentylidene]methanethiol IUPAC Name: (Z)-anilino-[(3E)-2-morpholin-4-ium-4-ylidene-3-[(3-nitrophenyl)methylidene]cyclopentylidene]methanethiol Traditional Name: (Z)-anilino-[(3E)-2-morpholin-4-ium-4-ylidene-3-(3-nitrobenzylidene)cyclopentylidene]methanethiol Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(NC2=CC=CC=C2)S)C(=[N+]3CCOCC3)C1=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C\1C/C(=C(\NC2=CC=CC=C2)/S)/C(=[N+]3CCOCC3)/C1=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O3S/c27-26(28)20-8-4-5-17(16-20)15-18-9-10-21(22(18)25-11-13-29-14-12-25)23(30)24-19-6-2-1-3-7-19/h1-8,15-16H,9-14H2,(H,24,30)/p+1/b18-15+