1-(4-chloranyl-7-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(4-chloranyl-7-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: (4-chloro-7-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: (4-chloro-7-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: (4-chloro-7-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: (4-chloro-7-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C8H5ClN4O2S2 MolecularWeight: 288.7339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1[N+](=O)[O-])SC(=N2)NC(=S)N)Cl

Isomeric SMILES

C1=CC(=C2C(=C1[N+](=O)[O-])SC(=N2)NC(=S)N)Cl

InChI

InChI=1S/C8H5ClN4O2S2/c9-3-1-2-4(13(14)15)6-5(3)11-8(17-6)12-7(10)16/h1-2H,(H3,10,11,12,16)