3-(3-nitro-4-piperazin-1-yl-phenyl)-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 3-(3-nitro-4-piperazin-1-yl-phenyl)-6H-1,3,4-thiadiazin-2-one Openeye Name: 3-(3-nitro-4-piperazin-1-yl-phenyl)-6H-1,3,4-thiadiazin-2-one CAS Name: 3-[3-nitro-4-(1-piperazinyl)phenyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 3-(3-nitro-4-piperazin-1-ylphenyl)-6H-1,3,4-thiadiazin-2-one Traditional Name: 3-(3-nitro-4-piperazino-phenyl)-6H-1,3,4-thiadiazin-2-one Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)N3C(=O)SCC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)N3C(=O)SCC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c19-13-17(15-5-8-22-13)10-1-2-11(12(9-10)18(20)21)16-6-3-14-4-7-16/h1-2,5,9,14H,3-4,6-8H2