(E)-2-(1,3-dithiepan-2-ylidene)-5-(4-nitrophenyl)-1-phenyl-pent-4-ene-1,3-dione

Systemtic Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(4-nitrophenyl)-1-phenyl-pent-4-ene-1,3-dione Openeye Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(4-nitrophenyl)-1-phenyl-pent-4-ene-1,3-dione CAS Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(4-nitrophenyl)-1-phenyl-4-pentene-1,3-dione IUPAC Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(4-nitrophenyl)-1-phenylpent-4-ene-1,3-dione Traditional Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(4-nitrophenyl)-1-phenyl-pent-4-ene-1,3-dione Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=C(C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)SC1

Isomeric SMILES

C1CCSC(=C(C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)SC1

InChI

InChI=1S/C22H19NO4S2/c24-19(13-10-16-8-11-18(12-9-16)23(26)27)20(22-28-14-4-5-15-29-22)21(25)17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2/b13-10+