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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C25H19N5O3S MolecularWeight: 469.51506

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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)C4=CC=C(C=C4)CN5C=C(C=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5C=C(C=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O3S/c1-16-2-11-22-23(12-16)34-25(28-22)19-7-9-20(10-8-19)27-24(31)18-5-3-17(4-6-18)14-29-15-21(13-26-29)30(32)33/h2-13,15H,14H2,1H3,(H,27,31)