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

Systemtic Name: 2-[[4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[4-ethyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[4-ethyl-5-(1-naphthalenylmethylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[4-ethyl-5-(1-naphthylmethylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C22H23N5S2 MolecularWeight: 421.58152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C22H23N5S2/c1-4-27-20(14-28-21-23-15(2)12-16(3)24-21)25-26-22(27)29-13-18-10-7-9-17-8-5-6-11-19(17)18/h5-12H,4,13-14H2,1-3H3