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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O3S/c1-8-5-6-12-13(7-8)25-16(17-12)18-15(22)11(4)20-10(3)14(21(23)24)9(2)19-20/h5-7,11H,1-4H3,(H,17,18,22)