5-hexylsulfanyl-3-phenyl-1,2-dihydro-1,2,3-triazole

Systemtic Name: 5-hexylsulfanyl-3-phenyl-1,2-dihydro-1,2,3-triazole Openeye Name: 5-hexylsulfanyl-3-phenyl-1,2-dihydrotriazole CAS Name: 5-(hexylthio)-3-phenyl-1,2-dihydrotriazole IUPAC Name: 5-hexylsulfanyl-3-phenyl-1,2-dihydrotriazole Traditional Name: 5-(hexylthio)-3-phenyl-1,2-dihydrotriazole Formula: C14H21N3S MolecularWeight: 263.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CN(NN1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC1=CN(NN1)C2=CC=CC=C2

InChI

InChI=1S/C14H21N3S/c1-2-3-4-8-11-18-14-12-17(16-15-14)13-9-6-5-7-10-13/h5-7,9-10,12,15-16H,2-4,8,11H2,1H3