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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-isopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-4-methyl-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-isopropyl-4-methyl-1,2,4-triazole Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C13H16ClN3S/c1-9(2)12-15-16-13(17(12)3)18-8-10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3