1-(4,6-dimethylpyridin-2-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea

Systemtic Name: 1-(4,6-dimethylpyridin-2-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea Openeye Name: 1-(4,6-dimethyl-2-pyridyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]thiourea CAS Name: 1-(4,6-dimethyl-2-pyridinyl)-3-[(E)-(5-nitro-2-furanyl)methylideneamino]thiourea IUPAC Name: 1-(4,6-dimethylpyridin-2-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea Traditional Name: 1-(4,6-dimethyl-2-pyridyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]thiourea Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=S)NN=CC2=CC=C(O2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=S)N/N=C/C2=CC=C(O2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N5O3S/c1-8-5-9(2)15-11(6-8)16-13(22)17-14-7-10-3-4-12(21-10)18(19)20/h3-7H,1-2H3,(H2,15,16,17,22)/b14-7+