4-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]-1,3-thiazol-2-amine

Systemtic Name: 4-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]-1,3-thiazol-2-amine Openeye Name: 4-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]thiazol-2-amine CAS Name: 4-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]-3-pyrrolyl]-2-thiazolamine IUPAC Name: 4-[2,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrrol-3-yl]-1,3-thiazol-2-amine Traditional Name: [4-[2,5-dimethyl-1-(3-nitrobenzyl)pyrrol-3-yl]thiazol-2-yl]amine Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-10-6-14(15-9-23-16(17)18-15)11(2)19(10)8-12-4-3-5-13(7-12)20(21)22/h3-7,9H,8H2,1-2H3,(H2,17,18)