4-(3,4-dimethoxyphenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(NNC3=NC(=O)CS2)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(NNC3=NC(=O)CS2)C4=CC=CC=C4)OC

InChI

InChI=1S/C20H19N3O3S/c1-25-14-9-8-13(10-15(14)26-2)19-17-18(12-6-4-3-5-7-12)22-23-20(17)21-16(24)11-27-19/h3-10,19H,11H2,1-2H3,(H2,21,22,23,24)