N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-2-phenylpyrazole-3-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Formula: C23H18N6OS2 MolecularWeight: 458.55862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C23H18N6OS2/c24-13-15-6-8-16(9-7-15)14-31-23-27-26-22(32-23)25-21(30)20-12-19(17-10-11-17)28-29(20)18-4-2-1-3-5-18/h1-9,12,17H,10-11,14H2,(H,25,26,30)