3-ethylsulfanyl-5-heptyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-ethylsulfanyl-5-heptyl-4-phenyl-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-5-heptyl-4-phenyl-1,2,4-triazole CAS Name: 3-(ethylthio)-5-heptyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-5-heptyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(ethylthio)-5-heptyl-4-phenyl-1,2,4-triazole Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N1C2=CC=CC=C2)SCC

Isomeric SMILES

CCCCCCCC1=NN=C(N1C2=CC=CC=C2)SCC

InChI

InChI=1S/C17H25N3S/c1-3-5-6-7-11-14-16-18-19-17(21-4-2)20(16)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3