1-(5-nitro-6-pyrrolidin-1-yl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(5-nitro-6-pyrrolidin-1-yl-1,3-benzothiazol-2-yl)thiourea Openeye Name: (5-nitro-6-pyrrolidin-1-yl-1,3-benzothiazol-2-yl)thiourea CAS Name: [5-nitro-6-(1-pyrrolidinyl)-1,3-benzothiazol-2-yl]thiourea IUPAC Name: (5-nitro-6-pyrrolidin-1-yl-1,3-benzothiazol-2-yl)thiourea Traditional Name: (5-nitro-6-pyrrolidino-1,3-benzothiazol-2-yl)thiourea Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C3C(=C2)SC(=N3)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2S2/c13-11(20)15-12-14-7-5-9(17(18)19)8(6-10(7)21-12)16-3-1-2-4-16/h5-6H,1-4H2,(H3,13,14,15,20)