phenyl-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone

Systemtic Name: phenyl-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone Openeye Name: phenyl-[4-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone CAS Name: phenyl-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone IUPAC Name: phenyl-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone Traditional Name: phenyl-[4-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)methylsulfonyl]-2-pyrazolin-3-yl]methanone Formula: C13H12N4O3S3 MolecularWeight: 368.45438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1)C(=O)C2=CC=CC=C2)S(=O)(=O)CC3=NNC(=S)S3

Isomeric SMILES

C1C(C(=NN1)C(=O)C2=CC=CC=C2)S(=O)(=O)CC3=NNC(=S)S3

InChI

InChI=1S/C13H12N4O3S3/c18-12(8-4-2-1-3-5-8)11-9(6-14-16-11)23(19,20)7-10-15-17-13(21)22-10/h1-5,9,14H,6-7H2,(H,17,21)