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

Systemtic Name: 4-(4-bromophenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-bromophenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-bromophenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-bromophenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-bromophenyl)-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C18H14BrN3OS MolecularWeight: 400.29226

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=C(NN2)C3=CC=CC=C3)C(S1)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C(=O)N=C2C(=C(NN2)C3=CC=CC=C3)C(S1)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H14BrN3OS/c19-13-8-6-12(7-9-13)17-15-16(11-4-2-1-3-5-11)21-22-18(15)20-14(23)10-24-17/h1-9,17H,10H2,(H2,20,21,22,23)