3-ethyl-7-phenyl-1-(thian-4-yl)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one

Systemtic Name: 3-ethyl-7-phenyl-1-(thian-4-yl)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Openeye Name: 3-ethyl-7-phenyl-1-tetrahydrothiopyran-4-yl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one CAS Name: 3-ethyl-7-phenyl-1-(4-thianyl)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one IUPAC Name: 3-ethyl-7-phenyl-1-(thian-4-yl)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Traditional Name: 3-ethyl-7-phenyl-1-tetrahydrothiopyran-4-yl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=CC=C3)C4CCSCC4

Isomeric SMILES

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=CC=C3)C4CCSCC4

InChI

InChI=1S/C19H22N4OS/c1-2-15-17-18(23(22-15)14-8-10-25-11-9-14)21-16(12-20-19(17)24)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,20,24)