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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-13-19-20(14-9-10-16(26-2)17(11-14)27-3)28-12-18(25)22-21(19)24(23-13)15-7-5-4-6-8-15/h4-11,20,23H,12H2,1-3H3