3-methyl-1-phenyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 3-methyl-1-phenyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-isopropoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-methyl-1-phenyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-methyl-1-phenyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-isopropoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C22H23N3O2S/c1-14(2)27-18-11-9-16(10-12-18)21-20-15(3)24-25(17-7-5-4-6-8-17)22(20)23-19(26)13-28-21/h4-12,14,21,24H,13H2,1-3H3