1-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(tetrahydrofurfuryl)thiourea Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=S)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c18-12-4-3-10(17(19)20)6-9(12)7-15-16-13(22)14-8-11-2-1-5-21-11/h3-4,6-7,11,15H,1-2,5,8H2,(H2,14,16,22)/b9-7+