N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S/c1-9-2-3-11-12(6-9)23-14(16-11)17-13(20)4-5-18-8-10(7-15-18)19(21)22/h2-3,6-8H,4-5H2,1H3,(H,16,17,20)