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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide Formula: C25H18ClN5O4S MolecularWeight: 519.95952

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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=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClN5O4S/c1-15-2-8-20-23(12-15)36-25(28-20)16-3-5-17(6-4-16)27-24(32)21-10-11-30(29-21)14-35-22-9-7-18(31(33)34)13-19(22)26/h2-13H,14H2,1H3,(H,27,32)