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

Systemtic Name: 1,3-diphenyl-4-(4-propoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 1,3-diphenyl-4-(4-propoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1,3-diphenyl-4-(4-propoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1,3-diphenyl-4-(4-propoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 1,3-diphenyl-4-(4-propoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C27H25N3O2S MolecularWeight: 455.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c1-2-17-32-22-15-13-20(14-16-22)26-24-25(19-9-5-3-6-10-19)29-30(21-11-7-4-8-12-21)27(24)28-23(31)18-33-26/h3-16,26,29H,2,17-18H2,1H3