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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-4-phenethyl-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-methyl-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-methyl-4-phenethyl-1,2,4-triazole Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCC2=CC=CC=C2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NN=C(N1CCC2=CC=CC=C2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN3S/c1-14-20-21-18(23-13-16-9-5-6-10-17(16)19)22(14)12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3