5-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-6-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=C(N=C4C(=CNN4C3=O)C#N)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=C(N=C4C(=CNN4C3=O)C#N)C

InChI

InChI=1S/C20H19N5O2S/c1-12-7-8-24(16-5-3-4-6-17(16)28-12)18(26)9-15-13(2)23-19-14(10-21)11-22-25(19)20(15)27/h3-6,11-12,22H,7-9H2,1-2H3