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

Systemtic Name: [(3S)-3-cyano-5-[(4-methyl-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-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butyl]ammonium CAS Name: [(3S)-3-cyano-5-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-5-[(4-methyl-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-1,2,4-triazol-3-yl)thio]propyl]vinylammonium Formula: C9H12N5OS+ MolecularWeight: 238.28948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5OS/c1-6(11)7(3-10)8(15)4-16-9-13-12-5-14(9)2/h5,7H,1,4,11H2,2H3/p+1/t7-/m1/s1