3-[(4-chlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-propyl-1H-1,2,4-triazole Formula: C12H14ClN3S MolecularWeight: 267.77766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3S/c1-2-3-11-14-12(16-15-11)17-8-9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3,(H,14,15,16)