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

Systemtic Name: 5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-azanyl-1,3-thiazol-4-one Openeye Name: 5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylene]-2-amino-thiazol-4-one CAS Name: 5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]methylidene]-2-amino-4-thiazolone IUPAC Name: 5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-2-amino-1,3-thiazol-4-one Traditional Name: 5-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylene]-2-amino-2-thiazolin-4-one Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C6C(=O)N=C(S6)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C6C(=O)N=C(S6)N

InChI

InChI=1S/C26H29N3OS/c1-15-7-20(11-23-24(30)28-25(27)31-23)16(2)29(15)22-5-3-21(4-6-22)26-12-17-8-18(13-26)10-19(9-17)14-26/h3-7,11,17-19H,8-10,12-14H2,1-2H3,(H2,27,28,30)