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

Systemtic Name: 4-[[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]amino]benzonitrile IUPAC Name: 4-[[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]amino]benzonitrile Formula: C23H20N4S MolecularWeight: 384.4967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H20N4S/c1-16-12-21(17(2)27(16)14-19-6-4-3-5-7-19)22-15-28-23(26-22)25-20-10-8-18(13-24)9-11-20/h3-12,15H,14H2,1-2H3,(H,25,26)