2-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine

Systemtic Name: 2-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[[5-butylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(butylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C18H21N5OS2 MolecularWeight: 387.52224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CSC3=NC=CC=N3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CSC3=NC=CC=N3

InChI

InChI=1S/C18H21N5OS2/c1-3-4-12-25-18-22-21-16(13-26-17-19-10-5-11-20-17)23(18)14-6-8-15(24-2)9-7-14/h5-11H,3-4,12-13H2,1-2H3