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

Systemtic Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: 2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c1-13-3-8-18-19(9-13)30-21(24-18)15-4-6-16(7-5-15)23-20(27)14(2)11-25-12-17(10-22-25)26(28)29/h3-10,12,14H,11H2,1-2H3,(H,23,27)