N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methyl-4-nitro-pyrazol-1-yl)propionamide Formula: C15H15N5O3S MolecularWeight: 345.3763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N5O3S/c1-9-3-4-11-13(7-9)24-15(17-11)18-14(21)5-6-19-10(2)12(8-16-19)20(22)23/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,21)