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

Systemtic Name: 4,6-dimethyl-2-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Openeye Name: 4,6-dimethyl-2-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 4,6-dimethyl-2-[[4-phenethyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Traditional Name: 4,6-dimethyl-2-[[4-phenethyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C20H25N5S2 MolecularWeight: 399.576

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H25N5S2/c1-4-12-26-20-24-23-18(14-27-19-21-15(2)13-16(3)22-19)25(20)11-10-17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3