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

Systemtic Name: 4-(1H-indol-3-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(1H-indol-3-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(1H-indol-3-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(1H-indol-3-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(1H-indol-3-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C26H20N4OS MolecularWeight: 436.5282

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=C(NN2C3=CC=CC=C3)C4=CC=CC=C4)C(S1)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1C(=O)N=C2C(=C(NN2C3=CC=CC=C3)C4=CC=CC=C4)C(S1)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C26H20N4OS/c31-22-16-32-25(20-15-27-21-14-8-7-13-19(20)21)23-24(17-9-3-1-4-10-17)29-30(26(23)28-22)18-11-5-2-6-12-18/h1-15,25,27,29H,16H2