4-(5-nitrocyclohepta-1,3,6-trien-1-yl)-2-sulfanylidene-N-(1,3-thiazol-2-yl)-1H-pyrimidine-6-carboxamide

Systemtic Name: 4-(5-nitrocyclohepta-1,3,6-trien-1-yl)-2-sulfanylidene-N-(1,3-thiazol-2-yl)-1H-pyrimidine-6-carboxamide Openeye Name: 4-(5-nitrocyclohepta-1,3,6-trien-1-yl)-N-thiazol-2-yl-2-thioxo-1H-pyrimidine-6-carboxamide CAS Name: 4-(5-nitro-1-cyclohepta-1,3,6-trienyl)-2-sulfanylidene-N-(2-thiazolyl)-1H-pyrimidine-6-carboxamide IUPAC Name: 4-(5-nitrocyclohepta-1,3,6-trien-1-yl)-2-sulfanylidene-N-(1,3-thiazol-2-yl)-1H-pyrimidine-6-carboxamide Traditional Name: 4-(5-nitrocyclohepta-1,3,6-trien-1-yl)-N-thiazol-2-yl-2-thioxo-1H-pyrimidine-6-carboxamide Formula: C15H11N5O3S2 MolecularWeight: 373.40954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O3S2/c21-13(19-15-16-6-7-25-15)12-8-11(17-14(24)18-12)9-2-1-3-10(5-4-9)20(22)23/h1-8,10H,(H,16,19,21)(H,17,18,24)