N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C21H22N6O3S MolecularWeight: 438.50278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3S/c1-12-2-3-15-16(4-12)31-19(23-15)24-17(28)20-6-13-5-14(7-20)9-21(8-13,10-20)26-11-22-18(25-26)27(29)30/h2-4,11,13-14H,5-10H2,1H3,(H,23,24,28)