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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-12-6-7-13-17(10-12)29-19(20-13)21-18(25)14-8-9-23(22-14)11-28-16-5-3-2-4-15(16)24(26)27/h2-10H,11H2,1H3,(H,20,21,25)