2-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(4-phenyl-5-sec-butylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butan-2-ylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[[4-phenyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C17H19N5S2 MolecularWeight: 357.49626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C17H19N5S2/c1-3-13(2)24-17-21-20-15(12-23-16-18-10-7-11-19-16)22(17)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3