2-(3-methylbutylsulfanyl)-5-naphthalen-2-yl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 2-(3-methylbutylsulfanyl)-5-naphthalen-2-yl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 2-isopentylsulfanyl-5-(2-naphthyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 2-(3-methylbutylthio)-5-(2-naphthalenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 2-(3-methylbutylsulfanyl)-5-naphthalen-2-yl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 2-(isoamylthio)-5-(2-naphthyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C26H24N4S MolecularWeight: 424.56056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN2C(=CC(=NC2=N1)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCSC1=NN2C(=CC(=NC2=N1)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4S/c1-18(2)14-15-31-26-28-25-27-23(22-13-12-19-8-6-7-11-21(19)16-22)17-24(30(25)29-26)20-9-4-3-5-10-20/h3-13,16-18H,14-15H2,1-2H3