4-(4-nitrophenyl)-5-(4-nitrophenyl)imino-2-(phenylmethyl)-1,2,4-thiadiazolidine-3-thione

Systemtic Name: 4-(4-nitrophenyl)-5-(4-nitrophenyl)imino-2-(phenylmethyl)-1,2,4-thiadiazolidine-3-thione Openeye Name: 2-benzyl-4-(4-nitrophenyl)-5-(4-nitrophenyl)imino-1,2,4-thiadiazolidine-3-thione CAS Name: 4-(4-nitrophenyl)-5-(4-nitrophenyl)imino-2-(phenylmethyl)-1,2,4-thiadiazolidine-3-thione IUPAC Name: 2-benzyl-4-(4-nitrophenyl)-5-(4-nitrophenyl)imino-1,2,4-thiadiazolidine-3-thione Traditional Name: 2-benzyl-4-(4-nitrophenyl)-5-(4-nitrophenyl)imino-1,2,4-thiadiazolidine-3-thione Formula: C21H15N5O4S2 MolecularWeight: 465.5049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)N(C(=NC3=CC=C(C=C3)[N+](=O)[O-])S2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)N(C(=NC3=CC=C(C=C3)[N+](=O)[O-])S2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O4S2/c27-25(28)18-8-6-16(7-9-18)22-20-24(17-10-12-19(13-11-17)26(29)30)21(31)23(32-20)14-15-4-2-1-3-5-15/h1-13H,14H2