2,5-bis[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2,5-bis[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2,5-bis[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2,5-bis[[4-(1-pyrazolyl)phenyl]methylthio]-1,3,4-thiadiazole IUPAC Name: 2,5-bis[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2,5-bis[(4-pyrazol-1-ylbenzyl)thio]-1,3,4-thiadiazole Formula: C22H18N6S3 MolecularWeight: 462.61352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=NN=C(S3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=NN=C(S3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C22H18N6S3/c1-11-23-27(13-1)19-7-3-17(4-8-19)15-29-21-25-26-22(31-21)30-16-18-5-9-20(10-6-18)28-14-2-12-24-28/h1-14H,15-16H2