1-methyl-3-[[(Z)-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea

Systemtic Name: 1-methyl-3-[[(Z)-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Openeye Name: 1-[[(Z)-(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-methyl-thiourea CAS Name: 1-[[(Z)-(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-methylthiourea IUPAC Name: 1-[[(Z)-(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-methylthiourea Traditional Name: 1-[[(Z)-(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-methyl-thiourea Formula: C9H10N4O4S MolecularWeight: 270.2651

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC=C1C=C(C(=O)C=C1O)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)NN/C=C\1/C=C(C(=O)C=C1O)[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O4S/c1-10-9(18)12-11-4-5-2-6(13(16)17)8(15)3-7(5)14/h2-4,11,14H,1H3,(H2,10,12,18)/b5-4-