3-butylsulfanyl-5-(2-chlorophenyl)-1-methyl-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-5-(2-chlorophenyl)-1-methyl-1,2,4-triazole Openeye Name: 3-butylsulfanyl-5-(2-chlorophenyl)-1-methyl-1,2,4-triazole CAS Name: 3-(butylthio)-5-(2-chlorophenyl)-1-methyl-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-5-(2-chlorophenyl)-1-methyl-1,2,4-triazole Traditional Name: 3-(butylthio)-5-(2-chlorophenyl)-1-methyl-1,2,4-triazole Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN(C(=N1)C2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCSC1=NN(C(=N1)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C13H16ClN3S/c1-3-4-9-18-13-15-12(17(2)16-13)10-7-5-6-8-11(10)14/h5-8H,3-4,9H2,1-2H3