2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C20H16BrN5O3S MolecularWeight: 486.34174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=C(C(=N4)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=C(C(=N4)[N+](=O)[O-])Br)C

InChI

InChI=1S/C20H16BrN5O3S/c1-11-3-8-15-16(9-11)30-20(23-15)13-4-6-14(7-5-13)22-17(27)10-25-12(2)18(21)19(24-25)26(28)29/h3-9H,10H2,1-2H3,(H,22,27)