4-ethyl-3-(naphthalen-1-ylmethylsulfanyl)-5-propyl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(naphthalen-1-ylmethylsulfanyl)-5-propyl-1,2,4-triazole Openeye Name: 4-ethyl-3-(1-naphthylmethylsulfanyl)-5-propyl-1,2,4-triazole CAS Name: 4-ethyl-3-(1-naphthalenylmethylthio)-5-propyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-(naphthalen-1-ylmethylsulfanyl)-5-propyl-1,2,4-triazole Traditional Name: 4-ethyl-3-(1-naphthylmethylthio)-5-propyl-1,2,4-triazole Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H21N3S/c1-3-8-17-19-20-18(21(17)4-2)22-13-15-11-7-10-14-9-5-6-12-16(14)15/h5-7,9-12H,3-4,8,13H2,1-2H3