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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C18H21N5S2 MolecularWeight: 371.52284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

InChI

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