N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-3-nitro-benzamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3S/c1-15-11-20(16(2)26(15)13-17-7-4-3-5-8-17)21-14-31-23(24-21)25-22(28)18-9-6-10-19(12-18)27(29)30/h3-12,14H,13H2,1-2H3,(H,24,25,28)