5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C12H11N5OS2 MolecularWeight: 305.37864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)N

InChI

InChI=1S/C12H11N5OS2/c13-11-14-15-12(20-11)19-7-8-6-10(18)17(16-8)9-4-2-1-3-5-9/h1-6,16H,7H2,(H2,13,14)