(2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: (2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: (2S)-2-(furan-2-carbonylamino)-4-methylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: (2S)-2-(furan-2-carbonylamino)-4-methylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: (2S)-2-(2-furoylamino)-4-(methylthio)-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C12H14N5O3S- MolecularWeight: 308.33626

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=NC1=NC=NN1)[O-])NC(=O)C2=CC=CO2

Isomeric SMILES

CSCC[C@@H](C(=NC1=NC=NN1)[O-])NC(=O)C2=CC=CO2

InChI

InChI=1S/C12H15N5O3S/c1-21-6-4-8(10(18)16-12-13-7-14-17-12)15-11(19)9-3-2-5-20-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,19)(H2,13,14,16,17,18)/p-1/t8-/m0/s1