1-[(3-nitropyridin-2-yl)amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(3-nitropyridin-2-yl)amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-nitro-2-pyridyl)amino]thiourea CAS Name: 1-[(3-nitro-2-pyridinyl)amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-nitropyridin-2-yl)amino]thiourea Traditional Name: 1-benzyl-3-[(3-nitro-2-pyridyl)amino]thiourea Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O2S/c19-18(20)11-7-4-8-14-12(11)16-17-13(21)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16)(H2,15,17,21)