4-[2-[5-azanyl-2-methyl-3-oxidanylidene-1-(2-thiophen-2-ylethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[5-azanyl-2-methyl-3-oxidanylidene-1-(2-thiophen-2-ylethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[5-amino-2-methyl-3-oxo-1-[2-(2-thienyl)ethyl]-2H-pyrrol-4-yl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-2-methyl-3-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[5-amino-2-methyl-3-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-amino-4-keto-5-methyl-1-[2-(2-thienyl)ethyl]-2-pyrrolin-3-yl]thiazol-4-yl]benzonitrile Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(N1CCC2=CC=CS2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1C(=O)C(=C(N1CCC2=CC=CS2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H18N4OS2/c1-13-19(26)18(20(23)25(13)9-8-16-3-2-10-27-16)21-24-17(12-28-21)15-6-4-14(11-22)5-7-15/h2-7,10,12-13H,8-9,23H2,1H3