[(1S)-1-[5-[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[5-[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[5-[(1R)-1-allophanoyl-2-methyl-propyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[5-[[(1R)-1-allophanoyl-2-methyl-propyl]thio]-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C17H33N6O2S+ MolecularWeight: 385.54792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C(C)C)C(=O)NC(=O)N)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1S[C@H](C(C)C)C(=O)NC(=O)N)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C17H32N6O2S/c1-7-9-10-23-14(12(8-2)22(5)6)20-21-17(23)26-13(11(3)4)15(24)19-16(18)25/h11-13H,7-10H2,1-6H3,(H3,18,19,24,25)/p+1/t12-,13+/m0/s1