diethyl-[(1S)-2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-phenyl-ethyl]ammonium Formula: C15H23N4S+ MolecularWeight: 291.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN1C(=NNC1=S)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CN1C(=NNC1=S)C)C2=CC=CC=C2

InChI

InChI=1S/C15H22N4S/c1-4-18(5-2)14(13-9-7-6-8-10-13)11-19-12(3)16-17-15(19)20/h6-10,14H,4-5,11H2,1-3H3,(H,17,20)/p+1/t14-/m1/s1