1-(2-chloranyl-5-nitro-phenyl)-3-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(3-pyridylmethyl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(3-pyridylmethyl)thiourea Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O2S/c14-11-4-3-10(18(19)20)6-12(11)17-13(21)16-8-9-2-1-5-15-7-9/h1-7H,8H2,(H2,16,17,21)