3-(3-methylbutylsulfanyl)-5-phenethyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(3-methylbutylsulfanyl)-5-phenethyl-4-phenyl-1,2,4-triazole Openeye Name: 3-isopentylsulfanyl-5-phenethyl-4-phenyl-1,2,4-triazole CAS Name: 3-(3-methylbutylthio)-5-phenethyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-methylbutylsulfanyl)-5-phenethyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(isoamylthio)-5-phenethyl-4-phenyl-1,2,4-triazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(N1C2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NN=C(N1C2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3S/c1-17(2)15-16-25-21-23-22-20(14-13-18-9-5-3-6-10-18)24(21)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3