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

Systemtic Name: 2-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-(butylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-butylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-(butylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C19H22ClN5S2 MolecularWeight: 419.99448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5S2/c1-4-5-10-26-19-24-23-17(25(19)16-8-6-15(20)7-9-16)12-27-18-21-13(2)11-14(3)22-18/h6-9,11H,4-5,10,12H2,1-3H3