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

Systemtic Name: 4-(4-bromophenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-bromophenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-bromophenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-bromophenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-bromophenyl)-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C19H16BrN3OS MolecularWeight: 414.31884

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3OS/c1-12-17-18(13-7-9-14(20)10-8-13)25-11-16(24)21-19(17)23(22-12)15-5-3-2-4-6-15/h2-10,18,22H,11H2,1H3