3-hexylsulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-hexylsulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Openeye Name: 3-hexylsulfanyl-5-(2-thienylmethyl)-1H-1,2,4-triazole CAS Name: 3-(hexylthio)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-hexylsulfanyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole Traditional Name: 3-(hexylthio)-5-(2-thenyl)-1H-1,2,4-triazole Formula: C13H19N3S2 MolecularWeight: 281.44006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)CC2=CC=CS2

Isomeric SMILES

CCCCCCSC1=NNC(=N1)CC2=CC=CS2

InChI

InChI=1S/C13H19N3S2/c1-2-3-4-5-8-18-13-14-12(15-16-13)10-11-7-6-9-17-11/h6-7,9H,2-5,8,10H2,1H3,(H,14,15,16)