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

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[(E)-(5-nitro-2-furanyl)methylideneamino]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]thiourea Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O3S/c1-9-3-5-12(10(2)7-9)16-14(22)17-15-8-11-4-6-13(21-11)18(19)20/h3-8H,1-2H3,(H2,16,17,22)/b15-8+