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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)CSC3=NC=CC=N3

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)CSC3=NC=CC=N3

InChI

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