4-chloranyl-3,5-dimethyl-2-nitro-6-[[(2-phenyl-1,3-benzothiazol-5-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-3,5-dimethyl-2-nitro-6-[[(2-phenyl-1,3-benzothiazol-5-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[(2-phenyl-1,3-benzothiazol-5-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[(2-phenyl-1,3-benzothiazol-5-yl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[(2-phenyl-1,3-benzothiazol-5-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[(2-phenyl-1,3-benzothiazol-5-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=CNC2=CC3=C(C=C2)SC(=N3)C4=CC=CC=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=C(C(=O)C1=CNC2=CC3=C(C=C2)SC(=N3)C4=CC=CC=C4)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-12-16(21(27)20(26(28)29)13(2)19(12)23)11-24-15-8-9-18-17(10-15)25-22(30-18)14-6-4-3-5-7-14/h3-11,24H,1-2H3