2-[[4-(4-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[4-(4-chlorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[4-(4-chlorophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[4-(4-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[4-(4-chlorophenyl)-5-(isopropylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C18H20ClN5S2 MolecularWeight: 405.9679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=C(C=C3)Cl)SC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=C(C=C3)Cl)SC(C)C)C

InChI

InChI=1S/C18H20ClN5S2/c1-11(2)26-18-23-22-16(24(18)15-7-5-14(19)6-8-15)10-25-17-20-12(3)9-13(4)21-17/h5-9,11H,10H2,1-4H3