1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H23N5O3S/c1-12-2-3-16-18(4-12)31-21(23-16)24-20(28)19-17(27(29)30)11-26(25-19)22-8-13-5-14(9-22)7-15(6-13)10-22/h2-4,11,13-15H,5-10H2,1H3,(H,23,24,28)