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

Systemtic Name: N-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C19H14ClN5O3S MolecularWeight: 427.86416

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

InChI

InChI=1S/C19H14ClN5O3S/c1-10-3-6-14-15(7-10)29-19(23-14)24-17-16(25(26)27)18(22-9-21-17)28-12-4-5-13(20)11(2)8-12/h3-9H,1-2H3,(H,21,22,23,24)