1-[4-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-propan-1-amine

Systemtic Name: 1-[4-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-propan-1-amine Openeye Name: 1-[4-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-propan-1-amine CAS Name: 1-[4-butyl-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-3-yl]-N,N-dimethyl-1-propanamine IUPAC Name: 1-[4-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethylpropan-1-amine Traditional Name: 1-[4-butyl-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-3-yl]propyl-dimethyl-amine Formula: C18H27ClN4S MolecularWeight: 366.95178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC=CC=C2Cl)C(CC)N(C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC=CC=C2Cl)C(CC)N(C)C

InChI

InChI=1S/C18H27ClN4S/c1-5-7-12-23-17(16(6-2)22(3)4)20-21-18(23)24-13-14-10-8-9-11-15(14)19/h8-11,16H,5-7,12-13H2,1-4H3