N,N-dimethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine

Systemtic Name: N,N-dimethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine Openeye Name: N,N-dimethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine CAS Name: N,N-dimethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanamine IUPAC Name: N,N-dimethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine Traditional Name: dimethyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CN(C)CCSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H16N4S/c1-16(2)8-9-17-12-13-11(14-15-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14,15)