(5Z)-2-azanyl-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-azanyl-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-amino-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazol-4-one CAS Name: (5Z)-2-amino-5-[[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: (5Z)-2-amino-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-amino-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thiazolin-4-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-2-3-13-29-19-11-9-16(10-12-19)21-17(14-20-22(28)25-23(24)30-20)15-27(26-21)18-7-5-4-6-8-18/h4-12,14-15H,2-3,13H2,1H3,(H2,24,25,28)/b20-14-