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

Systemtic Name: 1-(1-adamantyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C28H27N5O3S MolecularWeight: 513.61068

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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)C4=NN(C=C4[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NN(C=C4[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H27N5O3S/c1-16-2-7-22-24(8-16)37-27(30-22)20-3-5-21(6-4-20)29-26(34)25-23(33(35)36)15-32(31-25)28-12-17-9-18(13-28)11-19(10-17)14-28/h2-8,15,17-19H,9-14H2,1H3,(H,29,34)