3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-undecyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-undecyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-undecyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-methyl-5-undecyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-undecyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-methyl-5-undecyl-1,2,4-triazole Formula: C21H32ClN3S MolecularWeight: 394.01688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NN=C(N1C)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCC1=NN=C(N1C)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H32ClN3S/c1-3-4-5-6-7-8-9-10-11-12-20-23-24-21(25(20)2)26-17-18-13-15-19(22)16-14-18/h13-16H,3-12,17H2,1-2H3