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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4,5-dimethyl-1,2,4-triazole Formula: C11H12ClN3S MolecularWeight: 253.75108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H12ClN3S/c1-8-13-14-11(15(8)2)16-7-9-3-5-10(12)6-4-9/h3-6H,7H2,1-2H3