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

Systemtic Name: 4-(4-pentoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-pentoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-pentoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-pentoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-amoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S/c1-2-3-10-19-34-24-17-15-22(16-18-24)28-26-27(21-11-6-4-7-12-21)31-32(23-13-8-5-9-14-23)29(26)30-25(33)20-35-28/h4-9,11-18,28,31H,2-3,10,19-20H2,1H3