2-[4-azanyl-3-(4-butylphenyl)-1,3-thiazol-2-ylidene]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-[4-azanyl-3-(4-butylphenyl)-1,3-thiazol-2-ylidene]-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-[4-amino-3-(4-butylphenyl)thiazol-2-ylidene]-2-(benzenesulfonyl)acetonitrile CAS Name: 2-[4-amino-3-(4-butylphenyl)-2-thiazolylidene]-2-(benzenesulfonyl)acetonitrile IUPAC Name: 2-[4-amino-3-(4-butylphenyl)-1,3-thiazol-2-ylidene]-2-(benzenesulfonyl)acetonitrile Traditional Name: 2-[4-amino-3-(4-butylphenyl)-4-thiazolin-2-ylidene]-2-besyl-acetonitrile Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CSC2=C(C#N)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CSC2=C(C#N)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H21N3O2S2/c1-2-3-7-16-10-12-17(13-11-16)24-20(23)15-27-21(24)19(14-22)28(25,26)18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,23H2,1H3