1-(furan-2-ylmethyl)-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C13H13N3O3S/c1-9-4-5-10(16(17)18)7-12(9)15-13(20)14-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H2,14,15,20)