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

Systemtic Name: 4-(3H-inden-1-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3H-inden-1-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3H-inden-1-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3H-inden-1-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3H-inden-1-yl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C27H21N3OS MolecularWeight: 435.54014

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=CC=CC=C21)C3C4=C(NN(C4=NC(=O)CS3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C=C(C2=CC=CC=C21)C3C4=C(NN(C4=NC(=O)CS3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H21N3OS/c31-23-17-32-26(22-16-15-18-9-7-8-14-21(18)22)24-25(19-10-3-1-4-11-19)29-30(27(24)28-23)20-12-5-2-6-13-20/h1-14,16,26,29H,15,17H2