5-(cyclopentylmethyl)-3-phenethylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(cyclopentylmethyl)-3-phenethylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(cyclopentylmethyl)-3-phenethylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(cyclopentylmethyl)-3-(phenethylthio)-1H-1,2,4-triazole IUPAC Name: 5-(cyclopentylmethyl)-3-phenethylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(cyclopentylmethyl)-3-(phenethylthio)-1H-1,2,4-triazole Formula: C16H21N3S MolecularWeight: 287.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SCCC3=CC=CC=C3

InChI

InChI=1S/C16H21N3S/c1-2-6-13(7-3-1)10-11-20-16-17-15(18-19-16)12-14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-12H2,(H,17,18,19)