2-(3,4-dihydropyrazol-2-yl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepine

Systemtic Name: 2-(3,4-dihydropyrazol-2-yl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepine Openeye Name: 2-(3,4-dihydropyrazol-2-yl)-5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepine CAS Name: 2-(3,4-dihydropyrazol-2-yl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepine IUPAC Name: 2-(3,4-dihydropyrazol-2-yl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepine Traditional Name: 5-phenyl-2-(2-pyrazolin-1-yl)-3-(2-thienyl)-3H-1,4-benzodiazepine Formula: C22H18N4S MolecularWeight: 370.47012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1)C2=NC3=CC=CC=C3C(=NC2C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(N=C1)C2=NC3=CC=CC=C3C(=NC2C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H18N4S/c1-2-8-16(9-3-1)20-17-10-4-5-11-18(17)24-22(26-14-7-13-23-26)21(25-20)19-12-6-15-27-19/h1-6,8-13,15,21H,7,14H2