2-[(2-chloranyl-4-nitro-phenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[(2-chloro-4-nitro-phenyl)methyl]-1,3-benzothiazole CAS Name: 2-[(2-chloro-4-nitrophenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(2-chloro-4-nitrophenyl)methyl]-1,3-benzothiazole Traditional Name: 2-(2-chloro-4-nitro-benzyl)-1,3-benzothiazole Formula: C14H9ClN2O2S MolecularWeight: 304.75146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN2O2S/c15-11-8-10(17(18)19)6-5-9(11)7-14-16-12-3-1-2-4-13(12)20-14/h1-6,8H,7H2