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

Systemtic Name: 5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one Openeye Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one CAS Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(3,4-dimethylphenyl)-1H-pyrazol-3-one Traditional Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(3,4-dimethylphenyl)-3-pyrazolin-3-one Formula: C14H15N5OS2 MolecularWeight: 333.4318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)N)C

InChI

InChI=1S/C14H15N5OS2/c1-8-3-4-11(5-9(8)2)19-12(20)6-10(18-19)7-21-14-17-16-13(15)22-14/h3-6,18H,7H2,1-2H3,(H2,15,16)