1-ethyl-2-methyl-[1,3]thiazolo[3,2-a]benzimidazole; 2,4,6-trinitrophenol

Systemtic Name: 1-ethyl-2-methyl-[1,3]thiazolo[3,2-a]benzimidazole; 2,4,6-trinitrophenol Openeye Name: 1-ethyl-2-methyl-thiazolo[3,2-a]benzimidazole; picric acid CAS Name: 1-ethyl-2-methylthiazolo[3,2-a]benzimidazole; 2,4,6-trinitrophenol IUPAC Name: 1-ethyl-2-methyl-[1,3]thiazolo[3,2-a]benzimidazole; 2,4,6-trinitrophenol Traditional Name: 1-ethyl-2-methyl-thiazolo[3,2-a]benzimidazole; picric acid Formula: C18H15N5O7S MolecularWeight: 445.406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=NC3=CC=CC=C3N12)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C(SC2=NC3=CC=CC=C3N12)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2S.C6H3N3O7/c1-3-10-8(2)15-12-13-9-6-4-5-7-11(9)14(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,3H2,1-2H3;1-2,10H