[(3S)-3-ethylsulfanyl-5-oxidanylidene-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]-(phenylmethyl)azanium

Systemtic Name: [(3S)-3-ethylsulfanyl-5-oxidanylidene-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-3-ethylsulfanyl-5-oxo-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]ammonium CAS Name: [(3S)-3-(ethylthio)-5-oxo-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-3-ethylsulfanyl-5-oxo-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]azanium Traditional Name: benzyl-[(3S)-3-(ethylthio)-5-keto-6-phenyl-2,4-dihydro-1,2,4-triazin-3-yl]ammonium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(NC(=O)C(=NN1)C2=CC=CC=C2)[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CCS[C@@]1(NC(=O)C(=NN1)C2=CC=CC=C2)[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4OS/c1-2-24-18(19-13-14-9-5-3-6-10-14)20-17(23)16(21-22-18)15-11-7-4-8-12-15/h3-12,19,22H,2,13H2,1H3,(H,20,23)/p+1/t18-/m1/s1