6-[(5S)-5-(4-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5S)-5-(4-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-5-(4-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-5-(4-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-5-(4-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-5-(4-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NNC(S2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C=C1

Isomeric SMILES

C1=CC(=C2NN[C@@H](S2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C=C1

InChI

InChI=1S/C14H11N3O3S/c18-12-4-2-1-3-11(12)14-16-15-13(21-14)9-5-7-10(8-6-9)17(19)20/h1-8,13,15-16H/t13-/m0/s1