N-butyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-but-2-yn-1-amine

Systemtic Name: N-butyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-but-2-yn-1-amine Openeye Name: N-butyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-but-2-yn-1-amine CAS Name: N-butyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-methyl-2-butyn-1-amine IUPAC Name: N-butyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylbut-2-yn-1-amine Traditional Name: butyl-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]-methyl-amine Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CC#CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN(C)CC#CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4S/c1-3-4-17-26(2)18-11-12-19-28-23-25-24-22(20-13-7-5-8-14-20)27(23)21-15-9-6-10-16-21/h5-10,13-16H,3-4,17-19H2,1-2H3