4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3-nitro-chromen-2-one Openeye Name: 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3-nitro-chromen-2-one CAS Name: 4-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3-nitrochromen-2-one Traditional Name: 4-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-3-nitro-coumarin Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=N1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4S/c1-22-12-14-11(15-16-12)13-8-6-4-2-3-5-7(6)21-10(18)9(8)17(19)20/h2-5H,1H3,(H2,13,14,15,16)