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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CCC3=CC=CC=C3)SC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CCC3=CC=CC=C3)SC(C)C)C

InChI

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