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

Systemtic Name: 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-(butylthio)-4-phenethyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-(butylthio)-4-phenethyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C21H27N5S2 MolecularWeight: 413.60258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H27N5S2/c1-4-5-13-27-21-25-24-19(15-28-20-22-16(2)14-17(3)23-20)26(21)12-11-18-9-7-6-8-10-18/h6-10,14H,4-5,11-13,15H2,1-3H3