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

Systemtic Name: 4-(2-methoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(2-methoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(2-methoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(2-methoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(2-methoxyphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c1-30-20-15-9-8-14-19(20)24-22-23(17-10-4-2-5-11-17)27-28(18-12-6-3-7-13-18)25(22)26-21(29)16-31-24/h2-15,24,27H,16H2,1H3