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

Systemtic Name: 2-phenyl-4-(phenylmethyl)-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one Openeye Name: 4-benzyl-2-phenyl-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one CAS Name: 2-phenyl-4-(phenylmethyl)-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one IUPAC Name: 4-benzyl-2-phenyl-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one Traditional Name: 4-benzyl-2-phenyl-5-picrylimino-1,2,4-thiadiazolidin-3-one Formula: C21H14N6O7S MolecularWeight: 494.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN(C2=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SN(C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H14N6O7S/c28-21-23(13-14-7-3-1-4-8-14)20(35-24(21)15-9-5-2-6-10-15)22-19-17(26(31)32)11-16(25(29)30)12-18(19)27(33)34/h1-12H,13H2