4-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]amino]benzonitrile CAS Name: 4-[[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]amino]benzonitrile Formula: C24H22N4S MolecularWeight: 398.52328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H22N4S/c1-17-14-22(18(2)28(17)13-12-19-6-4-3-5-7-19)23-16-29-24(27-23)26-21-10-8-20(15-25)9-11-21/h3-11,14,16H,12-13H2,1-2H3,(H,26,27)