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

Systemtic Name: 5-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H12ClN5S2 MolecularWeight: 337.85088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=C(S2)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=C(S2)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C13H12ClN5S2/c1-8-10(7-20-13-17-16-12(15)21-13)11(14)19(18-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,15,16)