N,N-diethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide

Systemtic Name: N,N-diethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: N,N-diethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide CAS Name: N,N-diethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: N,N-diethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: N,N-diethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propionamide Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCSC1=[N+](NC=N1)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)CCSC1=[N+](NC=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N4OS/c1-3-18(4-2)14(20)10-11-21-15-16-12-17-19(15)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/p+1