4-methyl-N-phenyl-1,3-thiazol-2-amine; 2,4,6-trinitrophenol

Systemtic Name: 4-methyl-N-phenyl-1,3-thiazol-2-amine; 2,4,6-trinitrophenol Openeye Name: 4-methyl-N-phenyl-thiazol-2-amine; picric acid CAS Name: 4-methyl-N-phenyl-2-thiazolamine; 2,4,6-trinitrophenol IUPAC Name: 4-methyl-N-phenyl-1,3-thiazol-2-amine; 2,4,6-trinitrophenol Traditional Name: (4-methylthiazol-2-yl)-phenyl-amine; picric acid Formula: C16H13N5O7S MolecularWeight: 419.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2S.C6H3N3O7/c1-8-7-13-10(11-8)12-9-5-3-2-4-6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3,(H,11,12);1-2,10H