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

Systemtic Name: N-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H12ClN5O3S MolecularWeight: 413.83758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H12ClN5O3S/c1-10-8-11(6-7-12(10)19)27-17-15(24(25)26)16(20-9-21-17)23-18-22-13-4-2-3-5-14(13)28-18/h2-9H,1H3,(H,20,21,22,23)