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

Systemtic Name: diethyl-[(1S)-2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1-phenyl-ethyl]ammonium Formula: C16H25N4S+ MolecularWeight: 305.4615

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1CC(C2=CC=CC=C2)[NH+](CC)CC

Isomeric SMILES

CCC1=NNC(=S)N1C[C@H](C2=CC=CC=C2)[NH+](CC)CC

InChI

InChI=1S/C16H24N4S/c1-4-15-17-18-16(21)20(15)12-14(19(5-2)6-3)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3,(H,18,21)/p+1/t14-/m1/s1