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

Systemtic Name: 5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one Openeye Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one CAS Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one IUPAC Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one Traditional Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(4-methoxyphenyl)-3-pyrazolin-3-one Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)N

InChI

InChI=1S/C13H13N5O2S2/c1-20-10-4-2-9(3-5-10)18-11(19)6-8(17-18)7-21-13-16-15-12(14)22-13/h2-6,17H,7H2,1H3,(H2,14,15)