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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(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)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S/c1-9-4-5-12-13(8-9)25-16(17-12)18-14(22)6-7-20-11(3)15(21(23)24)10(2)19-20/h4-5,8H,6-7H2,1-3H3,(H,17,18,22)