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

Systemtic Name: 4-(4-butoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-butoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-butoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-butoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-butoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2S/c1-2-3-18-33-23-16-14-21(15-17-23)27-25-26(20-10-6-4-7-11-20)30-31(22-12-8-5-9-13-22)28(25)29-24(32)19-34-27/h4-17,27,30H,2-3,18-19H2,1H3