2-(4-oxidanylidene-1,2,3-thiadiazonan-2-yl)-5-phenylimino-1,2,3-thiadiazonan-4-one

Systemtic Name: 2-(4-oxidanylidene-1,2,3-thiadiazonan-2-yl)-5-phenylimino-1,2,3-thiadiazonan-4-one Openeye Name: 2-(4-oxothiadiazonan-2-yl)-5-phenylimino-thiadiazonan-4-one CAS Name: 2-(4-oxo-2-thiadiazonanyl)-5-phenylimino-4-thiadiazonanone IUPAC Name: 2-(4-oxothiadiazonan-2-yl)-5-phenyliminothiadiazonan-4-one Traditional Name: 2-(4-ketothiadiazonan-2-yl)-5-phenylimino-thiadiazonan-4-one Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NN(SCC1)N2NC(=O)C(=NC3=CC=CC=C3)CCCCS2

Isomeric SMILES

C1CCC(=O)NN(SCC1)N2NC(=O)C(=NC3=CC=CC=C3)CCCCS2

InChI

InChI=1S/C18H25N5O2S2/c24-17-12-5-2-7-13-26-22(20-17)23-21-18(25)16(11-6-8-14-27-23)19-15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14H2,(H,20,24)(H,21,25)