5-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C21H22N6O2S/c1-13-10-15(3)27(25-13)18-8-9-20(24-23-18)30-12-21(29)26-14(2)11-19(28)22-16-6-4-5-7-17(16)26/h4-10,14H,11-12H2,1-3H3,(H,22,28)