1-azanyl-5-(4-bromophenyl)-4,6-dihydropyrazolo[3,4-d][2]benzazepine-2-carbothioamide

Systemtic Name: 1-azanyl-5-(4-bromophenyl)-4,6-dihydropyrazolo[3,4-d][2]benzazepine-2-carbothioamide Openeye Name: 1-amino-5-(4-bromophenyl)-4,6-dihydropyrazolo[3,4-d][2]benzazepine-2-carbothioamide CAS Name: 1-amino-5-(4-bromophenyl)-4,6-dihydropyrazolo[3,4-d][2]benzazepine-2-carbothioamide IUPAC Name: 1-amino-5-(4-bromophenyl)-4,6-dihydropyrazolo[3,4-d][2]benzazepine-2-carbothioamide Traditional Name: 1-amino-5-(4-bromophenyl)-4,6-dihydropyrazolo[3,4-d][2]benzazepine-2-carbothioamide Formula: C18H16BrN5S MolecularWeight: 414.32214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C(N(N=C3CN1C4=CC=C(C=C4)Br)C(=S)N)N

Isomeric SMILES

C1C2=CC=CC=C2C3=C(N(N=C3CN1C4=CC=C(C=C4)Br)C(=S)N)N

InChI

InChI=1S/C18H16BrN5S/c19-12-5-7-13(8-6-12)23-9-11-3-1-2-4-14(11)16-15(10-23)22-24(17(16)20)18(21)25/h1-8H,9-10,20H2,(H2,21,25)