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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide Formula: C20H16N6O5S MolecularWeight: 452.44324

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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-])[N+](=O)[O-])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-])[N+](=O)[O-])C

InChI

InChI=1S/C20H16N6O5S/c1-11-3-8-15-16(9-11)32-20(22-15)13-4-6-14(7-5-13)21-17(27)10-24-12(2)18(25(28)29)19(23-24)26(30)31/h3-9H,10H2,1-2H3,(H,21,27)