2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-nitro-phenol

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-nitro-phenol Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-nitro-phenol CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-nitrophenol IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-nitrophenol Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-nitro-phenol Formula: C14H10N2O3S2 MolecularWeight: 318.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

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