2-[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[6-chloro-3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]thio]-1,3-benzothiazole IUPAC Name: 2-[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]thio]-1,3-benzothiazole Formula: C20H14ClN5S2 MolecularWeight: 423.94166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2SC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2SC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C20H14ClN5S2/c1-11-9-12(2)26(25-11)18-19(23-14-8-7-13(21)10-16(14)22-18)28-20-24-15-5-3-4-6-17(15)27-20/h3-10H,1-2H3