2,5-diphenyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 2,5-diphenyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-pyrazole-3-carboxamide CAS Name: 2,5-diphenyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-diphenylpyrazole-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2,5-diphenyl-pyrazole-3-carboxamide Formula: C25H19N5OS2 MolecularWeight: 469.58126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5OS2/c31-23(26-24-27-28-25(33-24)32-17-18-10-4-1-5-11-18)22-16-21(19-12-6-2-7-13-19)29-30(22)20-14-8-3-9-15-20/h1-16H,17H2,(H,26,27,31)