3-tert-butyl-1-ethyl-5-phenyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepine-8-thione

Systemtic Name: 3-tert-butyl-1-ethyl-5-phenyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepine-8-thione Openeye Name: 3-tert-butyl-1-ethyl-5-phenyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepine-8-thione CAS Name: 3-tert-butyl-1-ethyl-5-phenyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepine-8-thione IUPAC Name: 3-tert-butyl-1-ethyl-5-phenyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepine-8-thione Traditional Name: 3-tert-butyl-1-ethyl-5-phenyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepine-8-thione Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=S)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C(=N1)C(C)(C)C)N=C(CNC2=S)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4S/c1-5-22-15-14(16(21-22)18(2,3)4)20-13(11-19-17(15)23)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,19,23)