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

Systemtic Name: 2-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C17H19N5S2 MolecularWeight: 357.49626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5S2/c1-2-3-12-23-17-21-20-15(13-24-16-18-10-7-11-19-16)22(17)14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3