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

Systemtic Name: 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-1,3,4-thiadiazole Formula: C13H11ClN4S2 MolecularWeight: 322.83624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=CS2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=CS2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C13H11ClN4S2/c1-9-11(7-19-13-16-15-8-20-13)12(14)18(17-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3