3-[(5-nitro-2-oxidanyl-phenyl)methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[(5-nitro-2-oxidanyl-phenyl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(2-hydroxy-5-nitro-phenyl)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[(2-hydroxy-5-nitrophenyl)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(2-hydroxy-5-nitrophenyl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-(2-hydroxy-5-nitro-benzyl)-1,3-benzothiazole-2-thione Formula: C14H10N2O3S2 MolecularWeight: 318.3708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O3S2/c17-12-6-5-10(16(18)19)7-9(12)8-15-11-3-1-2-4-13(11)21-14(15)20/h1-7,17H,8H2