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

Systemtic Name: 2,4-bis(phenylmethyl)-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one Openeye Name: 2,4-dibenzyl-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one CAS Name: 2,4-bis(phenylmethyl)-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one IUPAC Name: 2,4-dibenzyl-5-(2,4,6-trinitrophenyl)imino-1,2,4-thiadiazolidin-3-one Traditional Name: 2,4-dibenzyl-5-picrylimino-1,2,4-thiadiazolidin-3-one Formula: C22H16N6O7S MolecularWeight: 508.46344

Click to see the large picture

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)CC4=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)CC4=CC=CC=C4

InChI

InChI=1S/C22H16N6O7S/c29-22-24(13-15-7-3-1-4-8-15)21(36-25(22)14-16-9-5-2-6-10-16)23-20-18(27(32)33)11-17(26(30)31)12-19(20)28(34)35/h1-12H,13-14H2