[(3S)-3-cyano-5-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-5-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butyl]ammonium CAS Name: [(3S)-3-cyano-5-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-5-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]vinylammonium Formula: C14H15N6OS+ MolecularWeight: 315.3735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C(C#N)C(=C)[NH3+])C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[C@H](C#N)C(=C)[NH3+])C2=CC=NC=C2

InChI

InChI=1S/C14H14N6OS/c1-9(16)11(7-15)12(21)8-22-14-19-18-13(20(14)2)10-3-5-17-6-4-10/h3-6,11H,1,8,16H2,2H3/p+1/t11-/m1/s1