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

Systemtic Name: 2-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 4,6-dimethyl-2-[(4-phenyl-5-sec-butylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butan-2-ylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 4,6-dimethyl-2-[[4-phenyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C19H23N5S2 MolecularWeight: 385.54942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H23N5S2/c1-5-15(4)26-19-23-22-17(24(19)16-9-7-6-8-10-16)12-25-18-20-13(2)11-14(3)21-18/h6-11,15H,5,12H2,1-4H3