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

Systemtic Name: 4-[2-[5-azanyl-2-methyl-3-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(5-amino-1-benzyl-2-methyl-3-oxo-2H-pyrrol-4-yl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-2-methyl-3-oxo-1-(phenylmethyl)-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(5-amino-1-benzyl-2-methyl-3-oxo-2H-pyrrol-4-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(2-amino-1-benzyl-4-keto-5-methyl-2-pyrrolin-3-yl)thiazol-4-yl]benzonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(N1CC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1C(=O)C(=C(N1CC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H18N4OS/c1-14-20(27)19(21(24)26(14)12-16-5-3-2-4-6-16)22-25-18(13-28-22)17-9-7-15(11-23)8-10-17/h2-10,13-14H,12,24H2,1H3