1-[[(E)-[3-(5-nitrofuran-2-yl)pyrazol-4-ylidene]methyl]amino]thiourea

Systemtic Name: 1-[[(E)-[3-(5-nitrofuran-2-yl)pyrazol-4-ylidene]methyl]amino]thiourea Openeye Name: [[(E)-[3-(5-nitro-2-furyl)pyrazol-4-ylidene]methyl]amino]thiourea CAS Name: [[(E)-[3-(5-nitro-2-furanyl)-4-pyrazolylidene]methyl]amino]thiourea IUPAC Name: [[(E)-[3-(5-nitrofuran-2-yl)pyrazol-4-ylidene]methyl]amino]thiourea Traditional Name: [[(E)-[3-(5-nitro-2-furyl)pyrazol-4-ylidene]methyl]amino]thiourea Formula: C9H8N6O3S MolecularWeight: 280.26322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])C2=NN=CC2=CNNC(=S)N

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])C\2=NN=C/C2=C\NNC(=S)N

InChI

InChI=1S/C9H8N6O3S/c10-9(19)14-12-4-5-3-11-13-8(5)6-1-2-7(18-6)15(16)17/h1-4,12H,(H3,10,14,19)/b5-4+