N-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H16ClN5O3S MolecularWeight: 441.89074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC(=C(C(=C4)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC(=C(C(=C4)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN5O3S/c1-10-4-5-14-15(6-10)30-20(24-14)25-18-17(26(27)28)19(23-9-22-18)29-13-7-11(2)16(21)12(3)8-13/h4-9H,1-3H3,(H,22,23,24,25)