1-(4-azanyl-3-nitro-phenyl)-3-pyridin-3-yl-thiourea

Systemtic Name: 1-(4-azanyl-3-nitro-phenyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-(4-amino-3-nitro-phenyl)-3-(3-pyridyl)thiourea CAS Name: 1-(4-amino-3-nitrophenyl)-3-(3-pyridinyl)thiourea IUPAC Name: 1-(4-amino-3-nitrophenyl)-3-pyridin-3-ylthiourea Traditional Name: 1-(4-amino-3-nitro-phenyl)-3-(3-pyridyl)thiourea Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O2S/c13-10-4-3-8(6-11(10)17(18)19)15-12(20)16-9-2-1-5-14-7-9/h1-7H,13H2,(H2,15,16,20)