1-[[5-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methylamino]thiourea

Systemtic Name: 1-[[5-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methylamino]thiourea Openeye Name: [[5-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methylamino]thiourea CAS Name: [[5-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-2-furanylidene]methylamino]thiourea IUPAC Name: [[5-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methylamino]thiourea Traditional Name: [[5-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methylamino]thiourea Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=C2C=CC(=CNNC(=S)N)O2)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=C2C=CC(=CNNC(=S)N)O2)C=C1[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4S/c13-12(21)15-14-6-8-2-4-11(20-8)9-5-7(16(18)19)1-3-10(9)17/h1-6,14H,(H3,13,15,21)