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

Systemtic Name: 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butylthio)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[[5-butylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(butylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C19H23N5OS2 MolecularWeight: 401.54882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)CSC3=NC=CC=N3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)CSC3=NC=CC=N3

InChI

InChI=1S/C19H23N5OS2/c1-3-5-13-26-19-23-22-17(14-27-18-20-11-6-12-21-18)24(19)15-7-9-16(10-8-15)25-4-2/h6-12H,3-5,13-14H2,1-2H3