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

Systemtic Name: 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 2-[[5-(butylthio)-4-phenethyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(butylthio)-4-phenethyl-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C19H23N5S2 MolecularWeight: 385.54942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C19H23N5S2/c1-2-3-14-25-19-23-22-17(15-26-18-20-11-7-12-21-18)24(19)13-10-16-8-5-4-6-9-16/h4-9,11-12H,2-3,10,13-15H2,1H3