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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-methyl-2-phenyl-1,3-dihydro-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-methyl-2-phenyl-1,3-dihydro-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-methyl-2-phenyl-1,3-dihydro-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-methyl-2-phenyl-1,3-dihydro-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-methyl-2-phenyl-1,3-dihydro-1,2,4-triazole Formula: C16H16ClN3S MolecularWeight: 317.83634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N(N1)C2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NC(N(N1)C2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H16ClN3S/c1-12-18-16(20(19-12)15-8-3-2-4-9-15)21-11-13-6-5-7-14(17)10-13/h2-10,16H,11H2,1H3,(H,18,19)