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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)CSC3=NC(=CC(=N3)C)C

InChI

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