1,3-dimethyl-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 1,3-dimethyl-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 1,3-dimethyl-4-(3-pyridyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1,3-dimethyl-4-(3-pyridinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1,3-dimethyl-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 1,3-dimethyl-4-(3-pyridyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C)C3=CN=CC=C3

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C)C3=CN=CC=C3

InChI

InChI=1S/C13H14N4OS/c1-8-11-12(9-4-3-5-14-6-9)19-7-10(18)15-13(11)17(2)16-8/h3-6,12,16H,7H2,1-2H3