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

Systemtic Name: 5-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-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]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C20H18ClN5S2 MolecularWeight: 427.97342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5S2/c1-14-17(18(21)26(25-14)16-10-6-3-7-11-16)13-27-20-24-23-19(28-20)22-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,23)