2-azanyl-5-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-azanyl-5-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-amino-5-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylene]thiazol-4-one CAS Name: 2-amino-5-[[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]-3-pyrrolyl]methylidene]-4-thiazolone IUPAC Name: 2-amino-5-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-amino-5-[[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]pyrrol-3-yl]methylene]-2-thiazolin-4-one Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C)C=C4C(=O)N=C(S4)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C)C=C4C(=O)N=C(S4)N

InChI

InChI=1S/C22H18N4O3S2/c1-13-11-15(12-20-21(27)24-22(23)31-20)14(2)25(13)16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)26(28)29/h3-12H,1-2H3,(H2,23,24,27)