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

Systemtic Name: 4,6-dimethyl-2-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Openeye Name: 4,6-dimethyl-2-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 4,6-dimethyl-2-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Traditional Name: 4,6-dimethyl-2-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C18H21N5S2 MolecularWeight: 371.52284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5S2/c1-4-10-24-18-22-21-16(23(18)15-8-6-5-7-9-15)12-25-17-19-13(2)11-14(3)20-17/h5-9,11H,4,10,12H2,1-3H3