N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C25H19N5O4S MolecularWeight: 485.51446

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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=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O4S/c1-16-6-11-19-23(14-16)35-25(27-19)17-7-9-18(10-8-17)26-24(31)20-12-13-29(28-20)15-34-22-5-3-2-4-21(22)30(32)33/h2-14H,15H2,1H3,(H,26,31)