2-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 2-[[4-phenethyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[[4-phenethyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C18H21N5S2 MolecularWeight: 371.52284

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C18H21N5S2/c1-2-13-24-18-22-21-16(14-25-17-19-10-6-11-20-17)23(18)12-9-15-7-4-3-5-8-15/h3-8,10-11H,2,9,12-14H2,1H3