1-tert-butyl-3-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiourea

Systemtic Name: 1-tert-butyl-3-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiourea Openeye Name: 1-tert-butyl-3-[(E)-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]amino]thiourea CAS Name: 1-tert-butyl-3-[(E)-[(E)-3-(5-nitro-2-furanyl)prop-2-enylidene]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiourea Traditional Name: 1-tert-butyl-3-[(E)-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]amino]thiourea Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NN=CC=CC1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=S)N/N=C/C=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-12(2,3)14-11(20)15-13-8-4-5-9-6-7-10(19-9)16(17)18/h4-8H,1-3H3,(H2,14,15,20)/b5-4+,13-8+