1-(5-nitropyridin-2-yl)-3-phenethyl-thiourea

Systemtic Name: 1-(5-nitropyridin-2-yl)-3-phenethyl-thiourea Openeye Name: 1-(5-nitro-2-pyridyl)-3-phenethyl-thiourea CAS Name: 1-(5-nitro-2-pyridinyl)-3-phenethylthiourea IUPAC Name: 1-(5-nitropyridin-2-yl)-3-phenethylthiourea Traditional Name: 1-(5-nitro-2-pyridyl)-3-phenethyl-thiourea Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c19-18(20)12-6-7-13(16-10-12)17-14(21)15-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,15,16,17,21)