3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-cyclopentyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-cyclopentyl-1H-1,2,4-triazole Formula: C18H20ClN5S MolecularWeight: 373.9029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NNC(=N2)C3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CSC2=NNC(=N2)C3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C18H20ClN5S/c1-12-15(16(19)24(23-12)14-9-3-2-4-10-14)11-25-18-20-17(21-22-18)13-7-5-6-8-13/h2-4,9-10,13H,5-8,11H2,1H3,(H,20,21,22)