1-(4,5-dimethyl-2-nitro-phenyl)-3-pyridin-3-yl-thiourea

Systemtic Name: 1-(4,5-dimethyl-2-nitro-phenyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-(4,5-dimethyl-2-nitro-phenyl)-3-(3-pyridyl)thiourea CAS Name: 1-(4,5-dimethyl-2-nitrophenyl)-3-(3-pyridinyl)thiourea IUPAC Name: 1-(4,5-dimethyl-2-nitrophenyl)-3-pyridin-3-ylthiourea Traditional Name: 1-(4,5-dimethyl-2-nitro-phenyl)-3-(3-pyridyl)thiourea Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NC2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C14H14N4O2S/c1-9-6-12(13(18(19)20)7-10(9)2)17-14(21)16-11-4-3-5-15-8-11/h3-8H,1-2H3,(H2,16,17,21)