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

Systemtic Name: 2-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(butylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C17H18ClN5S2 MolecularWeight: 391.94132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5S2/c1-2-3-11-24-17-22-21-15(12-25-16-19-9-4-10-20-16)23(17)14-7-5-13(18)6-8-14/h4-10H,2-3,11-12H2,1H3