[(3R)-3-cyano-5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-cyano-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-cyano-2-keto-propyl]vinylammonium Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C(C#N)C(=C)[NH3+])C2CCCCC2

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)[C@@H](C#N)C(=C)[NH3+])C2CCCCC2

InChI

InChI=1S/C17H23N5OS/c1-3-9-22-16(13-7-5-4-6-8-13)20-21-17(22)24-11-15(23)14(10-18)12(2)19/h3,13-14H,1-2,4-9,11,19H2/p+1/t14-/m0/s1