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

Systemtic Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]-4-nitro-benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O3S/c1-4-9-22-12(2)10-16(13(22)3)17-11-27-19(20-17)21-18(24)14-5-7-15(8-6-14)23(25)26/h5-8,10-11H,4,9H2,1-3H3,(H,20,21,24)