2-tert-butyl-4-(phenylmethyl)-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one

Systemtic Name: 2-tert-butyl-4-(phenylmethyl)-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one Openeye Name: 4-benzyl-2-tert-butyl-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one CAS Name: 2-tert-butyl-4-(phenylmethyl)-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one IUPAC Name: 4-benzyl-2-tert-butyl-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one Traditional Name: 4-benzyl-2-tert-butyl-5-picrylimino-1,2,4-thiadiazolidin-3-one Formula: C19H18N6O7S MolecularWeight: 474.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)N(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S1)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=O)N(C(=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S1)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N6O7S/c1-19(2,3)22-18(26)21(11-12-7-5-4-6-8-12)17(33-22)20-16-14(24(29)30)9-13(23(27)28)10-15(16)25(31)32/h4-10H,11H2,1-3H3