4-(2-ethoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(2-ethoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(2-ethoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(2-ethoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(2-ethoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-o-phenetyl-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S/c1-2-31-21-16-10-9-15-20(21)25-23-24(18-11-5-3-6-12-18)28-29(19-13-7-4-8-14-19)26(23)27-22(30)17-32-25/h3-16,25,28H,2,17H2,1H3