N-phenyl-4,5-dihydro-1,3-thiazol-2-amine; 2,4,6-trinitrophenol

Systemtic Name: N-phenyl-4,5-dihydro-1,3-thiazol-2-amine; 2,4,6-trinitrophenol Openeye Name: N-phenyl-4,5-dihydrothiazol-2-amine; picric acid CAS Name: N-phenyl-4,5-dihydrothiazol-2-amine; 2,4,6-trinitrophenol IUPAC Name: N-phenyl-4,5-dihydro-1,3-thiazol-2-amine; 2,4,6-trinitrophenol Traditional Name: phenyl(2-thiazolin-2-yl)amine; picric acid Formula: C15H13N5O7S MolecularWeight: 407.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CSC(=N1)NC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N2S.C6H3N3O7/c1-2-4-8(5-3-1)11-9-10-6-7-12-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5H,6-7H2,(H,10,11);1-2,10H