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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)N4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)N4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c1-3-18(25-12-16(11-22-25)26(28)29)20(27)23-15-7-5-14(6-8-15)21-24-17-9-4-13(2)10-19(17)30-21/h4-12,18H,3H2,1-2H3,(H,23,27)