5-[(4-chlorophenyl)methyl]-3-hexylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chlorophenyl)methyl]-3-hexylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-[(4-chlorophenyl)methyl]-3-hexylsulfanyl-1H-1,2,4-triazole CAS Name: 5-[(4-chlorophenyl)methyl]-3-(hexylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chlorophenyl)methyl]-3-hexylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-chlorobenzyl)-3-(hexylthio)-1H-1,2,4-triazole Formula: C15H20ClN3S MolecularWeight: 309.8574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCSC1=NNC(=N1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClN3S/c1-2-3-4-5-10-20-15-17-14(18-19-15)11-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,17,18,19)